SCHEMBL11209429

SCHEMBL11209429

CC(C)Cc1ccc(C(=N)c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.46
PTGS2 P35354 4/20 0.46
LMNA P02545 2/20 0.46
CYP2C9 P11712 2/20 0.46
AKR1C3 P42330 2/20 0.46
CXCR1 P25024 2/20 0.46
CXCR2 P25025 2/20 0.46
ALOX5 P09917 2/20 0.46
ALB P02768 1/20 0.46
ESR1 P03372 1/20 0.46
RARB P10826 1/20 0.46
ADRB3 P13945 1/20 0.46
NFKB1 P19838 1/20 0.46
HTR2A P28223 1/20 0.46
NR1I3 Q14994 1/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
CXCL8 P10145 1/20 0.46
TSHR P16473 1/20 0.46
AKR1C2 P52895 1/20 0.46
BLM P54132 1/20 0.46

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
SCHEMBL5018743 0.81 PTGS1 (0.55) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL6547564 0.81 MEN1 (0.48) PTGS1PTGS2LMNACYP2C9AKR1C3
Acetophenone SCHEMBL22033274 0.79 LMNA (0.61) PTGS1PTGS2LMNACYP2C9AKR1C3
Isobutylbenzene SCHEMBL363626 0.79 TAAR1 (0.61) PTGS1PTGS2LMNACYP2C9AKR1C3
Hydrogen Peroxide SCHEMBL9581174 0.78 PTGS1 (0.64) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL6557928 0.78 MEN1 (0.61) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL21324612 0.78 LMNA (0.47) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL10606092 0.78 TP53 (0.54) LMNATSHRCYP2A6
Isobutylbenzene SCHEMBL113603 0.77 TAAR1 (0.58) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL28403118 0.77 PTGS1 (0.50) PTGS1PTGS2LMNACYP2C9AKR1C3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541425-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2013-09-24 US disclosed
US-8415362-B2 Pyrazolyl substituted pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2013-04-09 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-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
EP-0038708-B1 PROCESS FOR PRODUCING BENZOPHENONE-AZINES MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1983-08-24 EP disclosed
EP-0038708-A1 Process for producing benzophenone-azines MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1981-10-28 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 (3 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-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 PTGS1 998/4885PTGS2 1385/4885LMNA 4541/4885
US-20100022522-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 PTGS1 1381/4885PTGS2 915/4885LMNA 4785/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 PTGS1 1381/4885PTGS2 915/4885LMNA 4785/4885

“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.