SCHEMBL12040933

SCHEMBL12040933

Cc1cc([N+](=O)[O-])ccc1C(C)C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.62
TSHR P16473 5/20 0.62
TDP1 Q9NUW8 2/20 0.62
CYP3A4 P08684 4/20 0.58
HPGD P15428 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MCOLN3 Q8TDD5 1/20 0.49
MAPT P10636 3/20 0.47
PKM P14618 1/20 0.47
ACHE P22303 2/20 0.47
HSD17B10 Q99714 2/20 0.47
G6PD P11413 1/20 0.46
LMNA P02545 2/20 0.44
CRHBP P24387 2/20 0.44
CRHR2 Q13324 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PDE2A O00408 1/20 0.44
PDE5A O76074 1/20 0.44
ALOX15 P16050 1/20 0.44
NFKB1 P19838 1/20 0.44

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
SCHEMBL16971089 0.85 ALDH1A1 (0.59) ALDH1A1TSHRTDP1CYP3A4HPGD
SCHEMBL16971064 0.85 ALDH1A1 (0.58) ALDH1A1TSHRTDP1CYP3A4HPGD
SCHEMBL12929973 0.85 ALDH1A1 (0.62) ALDH1A1TSHRTDP1CYP3A4HPGD
SCHEMBL11526155 0.84 ALDH1A1 (0.51) ALDH1A1TSHRTDP1CYP3A4HPGD
SCHEMBL18993988 0.83 ALDH1A1 (0.60) ALDH1A1TSHRTDP1CYP3A4HPGD
SCHEMBL22604452 0.82 ALDH1A1 (0.55) ALDH1A1TSHRTDP1CYP3A4MAPT
SCHEMBL16971211 0.81 ALDH1A1 (0.53) ALDH1A1TSHRTDP1CYP3A4HPGD
SCHEMBL9735630 0.81 PDK1 (0.55) ALDH1A1TSHRTDP1CYP3A4HPGD
SCHEMBL19592246 0.80 ALDH1A1 (0.56) ALDH1A1TSHRTDP1CYP3A4MAPT
SCHEMBL21316561 0.80 ALDH1A1 (0.51) ALDH1A1TSHRTDP1CYP3A4HPGD

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 51 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
US-20230276701-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMISSION DEVICE OSAKA UNIVERSITY (JP) 2023-08-31 US disclosed
CN-116179614-A Preparation method and application of O-cymene-5-ol for cosmetics 王叔和生物医药(武汉)有限公司 2023-05-30 CN 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-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-20190125750-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2019-05-02 US disclosed
US-9974790-B2 Heteroaryl substituted pyrrolo[2,3-B] pyridines and pyrrolo[2,3-B] pyrimidines as janus kinase inhibitors INCYTE CORPORATION (US) 2018-05-22 US disclosed
US-9975852-B2 Quinoline sulfonyl derivatives and uses thereof HEALTH SCIENCES NORTH RESEARCH INSTITUTE (CA) 2018-05-22 US disclosed
US-9974790-B2 Heteroaryl substituted pyrrolo[2,3-B] pyridines and pyrrolo[2,3-B] pyrimidines as janus kinase inhibitors INCYTE CORPORATION (US) 2018-05-22 US disclosed
US-20110224157-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
WO-2011008618-A1 METAL-CATALYZED CARBON-FLUORINE BOND FORMATION NATIONAL UNIVERSITY OF SINGAPORE (SG) 2011-01-20 WO disclosed
US-20110015401-A1 Metal-Catalyzed Carbon-Fluorine Bond Formation MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2011-01-20 US 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-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-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
WO-2007070514-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-B]PYRIDINES AND PYRROLO[2,3-B]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2007-06-21 WO 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

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

For each of this compound's patents that has machine-readable text (10 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 ALDH1A1 3413/4885TSHR 3192/4885TDP1 1172/4885
US-20220395506-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 ALDH1A1 3413/4885TSHR 3192/4885TDP1 1172/4885
US-20190125750-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 ALDH1A1 3413/4885TSHR 3192/4885TDP1 1172/4885
US-20110224157-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 ALDH1A1 3413/4885TSHR 3192/4885TDP1 1172/4885
US-20230276701-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMISSION DEVICE ESR1, ECE1, ESYT1 ALDH1A1 722/4885TSHR 3456/4885TDP1 1308/4885
US-20110015401-A1 Metal-Catalyzed Carbon-Fluorine Bond Formation FLI1, VGF, GMFG ALDH1A1 1100/4885TSHR 3434/4885TDP1 4454/4885
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 ALDH1A1 2035/4885TSHR 3399/4885TDP1 1298/4885
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 ALDH1A1 3413/4885TSHR 3192/4885TDP1 1172/4885
US-20100022522-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 ALDH1A1 3413/4885TSHR 3192/4885TDP1 1172/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 ALDH1A1 3413/4885TSHR 3192/4885TDP1 1172/4885

“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.