SCHEMBL3249841

SCHEMBL3249841

CC(C)S(=O)(=O)CCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.48
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
IDO1 P14902 1/20 0.46
TSHR P16473 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MCL1 Q07820 1/20 0.45
POLB P06746 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA7 P43166 1/20 0.42
CA13 Q8N1Q1 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5863374 0.81 KMT2A (0.45) CA2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL20364691 0.80 KMT2A (0.53) ALDH1A1TSHRKDM4EMEN1KMT2A
SCHEMBL19592448 0.80 ALDH1A1 (0.44) CA2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL13573534 0.79 CA1 (0.44) CA2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL751553 0.79 CA2 (0.48) CA2ALDH1A1IDO1KDM4ECA12
SCHEMBL750589 0.79 CA2 (0.48) CA2ALDH1A1IDO1KDM4ECA12
SCHEMBL3252117 0.78 CA1 (0.52) CA2ALDH1A1TSHRCA1MEN1
SCHEMBL515212 0.76 CA2 (0.53) CA2ALDH1A1IDO1POLBCA12
SCHEMBL302785 0.75 CA2 (0.69) CA2ALDH1A1IDO1KDM4ECA12
SCHEMBL10879503 0.75 IDO1 (0.54) CA2ALDH1A1CYP1A2CYP2C9CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2023-09-05 US disclosed
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2023-09-05 US disclosed
EP-3743430-B1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-08-02 EP disclosed
US-20220395506-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2022-12-15 US disclosed
US-11331320-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2022-05-17 US disclosed
US-11332463-B2 Spiropiperidine allosteric modulators of nicotinic acetylcholine receptors MERCK SHARP & DOHME CORP. (US) 2022-05-17 US disclosed
US-20210070745-A1 SPIROPIPERIDINE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME CORP. (US) 2021-03-11 US disclosed
US-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-11-05 US disclosed
US-20200338077-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2020-10-29 US disclosed
US-10639310-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2020-05-05 US disclosed
US-20110223210-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION, A DELAWARE CORPORATION 2011-09-15 US disclosed
US-20110136765-A1 Pyrrolo[2,3-D]Pyrimidine Compounds PFIZER INC. (US) 2011-06-09 US disclosed
EP-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 EP disclosed
US-20100022522-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS Incyte Corporationn, a Delaware corporation 2010-01-28 US disclosed
US-7598257-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as janus kinase inhibitors INCYTE CORPORATION (US) 2009-10-06 US disclosed
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-07-16 US disclosed
US-20070135461-A1 3-Cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile; immune-related diseases, skin disorders, myeloid proliferative disorders, cancer INCYTE CORPORATION 2007-06-14 US disclosed
US-6562849-B1 Amine compound or pharmacologically acceptable salt thereof. These compounds are useful in the treatment and/or prophylaxis of diseases such as diabetes, hyperlipemia, arteriosclerosis, cancer, etc. SANKYO COMPANY, LIMITED (JP) 2003-05-13 US disclosed
US-20030078426-A1 Amine derivative compounds SANKYO COMPANY, LIMITED (JP) 2003-04-24 US disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10639310-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 CA2 4482/4885ALDH1A1 3413/4885CYP1A2 1683/4885
US-11332463-B2 Spiropiperidine allosteric modulators of nicotinic acetylcholine receptors CHRNA7, CHRNA5, CHRNA6 CA2 4103/4885ALDH1A1 1287/4885CYP1A2 1667/4885
US-20200338077-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 CA2 4482/4885ALDH1A1 3413/4885CYP1A2 1683/4885
US-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS RIPK1, RIPK2, RIPK4 CA2 2515/4885ALDH1A1 4108/4885CYP1A2 3312/4885
US-20220395506-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 CA2 4482/4885ALDH1A1 3413/4885CYP1A2 1683/4885
US-20210070745-A1 SPIROPIPERIDINE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA7, CHRNA5, CHRNA6 CA2 4103/4885ALDH1A1 1287/4885CYP1A2 1667/4885
US-20110136765-A1 Pyrrolo[2,3-D]Pyrimidine Compounds JAK3, JAK1, JAK2 CA2 4214/4885ALDH1A1 2934/4885CYP1A2 1425/4885
US-20110223210-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 CA2 4482/4885ALDH1A1 3413/4885CYP1A2 1683/4885
US-20070135461-A1 3-Cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile; immune-related diseases, skin disorders, myeloid proliferative disorders, cancer JAK1, JAK3, MAP3K4 CA2 4789/4885ALDH1A1 2035/4885CYP1A2 2287/4885
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 CA2 4482/4885ALDH1A1 3413/4885CYP1A2 1683/4885
US-20030078426-A1 Amine derivative compounds H1-10, APOB, PRMT1 CA2 1149/4885ALDH1A1 874/4885CYP1A2 1561/4885
US-20100022522-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 CA2 4482/4885ALDH1A1 3413/4885CYP1A2 1683/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 CA2 4482/4885ALDH1A1 3413/4885CYP1A2 1683/4885
US-11331320-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 CA2 4482/4885ALDH1A1 3413/4885CYP1A2 1683/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.