SCHEMBL4317819

SCHEMBL4317819

COc1ccc(Cn2nc(C)c3cc(Br)ccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 2/20 0.53
PIK3CA P42336 2/20 0.53
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PTGS2 P35354 1/20 0.43
MAPT P10636 2/20 0.42
KMT2A Q03164 1/20 0.42
PDE1B Q01064 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
CMA1 P23946 1/20 0.41
DCTPP1 Q9H773 1/20 0.40
PTGER4 P35408 1/20 0.40
PARK7 Q99497 1/20 0.40

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
SCHEMBL24149413 0.86 PIK3R1 (0.49) PIK3R1PIK3CACNR1CNR2PTGS2
SCHEMBL1163076 0.84 CNR1 (0.49) CNR1CNR2CYP1A2CYP3A4CYP2D6
SCHEMBL24148852 0.84 CNR1 (0.46) PIK3R1PIK3CACNR1CNR2PTGS2
SCHEMBL24147762 0.83 CNR1 (0.46) PIK3R1PIK3CACNR1CNR2PTGS2
SCHEMBL24148851 0.82 CNR1 (0.45) PIK3R1PIK3CACNR1CNR2PTGS2
SCHEMBL4313877 0.81 PIK3R1 (0.48) PIK3R1PIK3CACNR1CNR2CYP1A2
SCHEMBL9909981 0.81 CNR2 (0.46) PIK3R1PIK3CACNR1CNR2CYP1A2
SCHEMBL24149122 0.81 ELANE (0.56) PIK3R1PIK3CACNR1CNR2PTGS2
SCHEMBL24423075 0.80 CNR1 (0.46) CNR1CNR2CYP1A2CYP3A4CYP2D6
SCHEMBL24424093 0.80 PTGER4 (0.49) CNR1CNR2MAPTKMT2APDE1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4240736-A1 PPAR GAMMA MODULATORS AND METHODS OF USE Eisai R&D Management Co., Ltd. (JP) 2023-09-13 EP disclosed
WO-2022099144-A1 ΡΡΑRγ MODULATORS AND METHODS OF USE Eisai R&D Mangement Co., Ltd. (JP) 2022-05-12 WO disclosed
WO-2022099144-A1 ΡΡΑRγ MODULATORS AND METHODS OF USE Eisai R&D Mangement Co., Ltd. (JP) 2022-05-12 WO disclosed
EP-1871765-B1 3-(INDAZOL-5-YL)-(1,2,4)TRIAZINE DERIVATIVES AND RELATED COMPOUNDS AS PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF CANCER SCHERING CORP (US) 2009-12-09 EP disclosed
US-7528132-B2 immunodeficiencies, cancers, cardiovascular diseases, endocrine disorders, Parkinson's disease, metabolic diseases, tumorigenesis, Alzheimer's disease, heart disease, diabetes, neurodegeneration, inflammation, kidney disease, atherosclerosis and airway disease; indazolyl [1,2,4]triazine compounds SCHERING CORPORATION (US) 2009-05-05 US disclosed
CN-101146796-A 3-(indazol-5-yl)-(1,2,4)triazine derivatives and related compounds as protein kinase inhibitors for the treatment of cancer SCHERING CORP (US) 2008-03-19 CN disclosed
US-20080004257-A1 Kinase inhibitors SCHERING CORPORATION 2008-01-03 US disclosed
EP-1871765-A2 3-(INDAZOL-5-YL)-(1,2,4)TRIAZINE DERIVATIVES AND RELATED COMPOUNDS AS PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF CANCER SCHERING CORPORATION (US) 2008-01-02 EP disclosed
WO-2006081230-A2 3-(INDAZOL-5-YL)-(1,2, 4) TRIAZINE DERIVATIVES AND RELATED COMPOUNDS AS PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF CANCER SCHERING CORPORATION (US) 2006-08-03 WO 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 (1 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-20080004257-A1 Kinase inhibitors MAP3K1, MAP3K13, MAP3K6 PIK3R1 537/4885PIK3CA 157/4885CNR1 3607/4885

“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.