SCHEMBL5738501

SCHEMBL5738501

Cc1n[nH]c2c1nc(-c1ccc(Cl)cc1Cl)c1ccccc12

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 12/20 0.51
DPP4 P27487 2/20 0.40
GUSB P08236 1/20 0.40
TNKS O95271 1/20 0.39
HPGD P15428 2/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
DPP8 Q6V1X1 1/20 0.37

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
SCHEMBL4714864 0.87 CRHR1 (0.47) CRHR1HPGDMAPTALDH1A1GAA
SCHEMBL5739946 0.81 CRHR1 (0.47) CRHR1TNKSHPGDKDM4EMAPK1
SCHEMBL5739590 0.79 ADORA2A (0.45) HPGDKDM4EMAPK1ALDH1A1GAA
SCHEMBL5738740 0.79 CHEK1 (0.41) GUSBALDH1A1
SCHEMBL5738676 0.78 IDO1 (0.52) HPGDMAPTKDM4EALDH1A1
SCHEMBL5739673 0.78 KDM4E (0.45) MAPTKDM4EMAPK1ALDH1A1GAA
SCHEMBL5738472 0.77 ADORA1 (0.36) ALDH1A1
SCHEMBL5738829 0.77 DHODH (0.39) CRHR1KDM4EALDH1A1
SCHEMBL5739520 0.76 DCUN1D1 (0.40) HPGDMAPTKDM4EMAPK1ALDH1A1
SCHEMBL5248567 0.76 KMT2A (0.44) GUSBHPGDMAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1644371-A1 PYRAZOLOISOQUINOLINE DERIVATIVES AS KINASE INHIBITORS Aventis Pharmaceuticals Inc. (US) 2006-04-12 EP claimed
WO-2005012301-A1 PYRAZOLOISOQUINOLINE DERIVATIVES AS KINASE INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2005-02-10 WO claimed
US-20050009859-A1 Pyrazoloisoquinoline derivative as kinase inhibitors for the treatment of various disorders AVENTIS PHARMACEUTICALS INC. (US) 2005-01-13 US claimed
US-7132428-B2 Pyrazoloisoquinoline derivative as kinase inhibitors for the treatment of various disorders AVENTIS PHARMACEUTICALS INC. (US) 2006-11-07 US disclosed
EP-1644371-A1 PYRAZOLOISOQUINOLINE DERIVATIVES AS KINASE INHIBITORS Aventis Pharmaceuticals Inc. (US) 2006-04-12 EP disclosed
WO-2005012301-A1 PYRAZOLOISOQUINOLINE DERIVATIVES AS KINASE INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2005-02-10 WO disclosed
US-20050009859-A1 Pyrazoloisoquinoline derivative as kinase inhibitors for the treatment of various disorders AVENTIS PHARMACEUTICALS INC. (US) 2005-01-13 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 (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-20050009859-A1 Pyrazoloisoquinoline derivative as kinase inhibitors for the treatment of various disorders PRKDC, MAP3K2, MAP3K20 CRHR1 3365/4885DPP4 4115/4885GUSB 3593/4885

“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.