SCHEMBL5738474

SCHEMBL5738474

COc1ccc2c(c1)c(-c1ccccn1)nc1c(C)n[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.43
RAB9A P51151 3/20 0.43
RUNX1 Q01196 1/20 0.43
KDM4E B2RXH2 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
HSD17B10 Q99714 2/20 0.40
DYRK1A Q13627 2/20 0.40
CCNB2 O95067 2/20 0.40
CDK1 P06493 2/20 0.40
CCNB1 P14635 2/20 0.40
CCNA2 P20248 2/20 0.40
CDK2 P24941 2/20 0.40
CCNA1 P78396 2/20 0.40
CDK5 Q00535 2/20 0.40
CDK5R1 Q15078 2/20 0.40
CCNB3 Q8WWL7 2/20 0.40
ALDH1A1 P00352 2/20 0.40
DYRK3 O43781 1/20 0.40
CCNT1 O60563 1/20 0.40
CYP1A2 P05177 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
SCHEMBL5246387 0.86 SMN1; SMN2 (0.40) NPC1KDM4ESMN1; SMN2HSD17B10ALDH1A1
SCHEMBL5249664 0.84 LRRK2 (0.48) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL5740060 0.84 KDM4E (0.43) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL4713601 0.83 BCHE (0.47) KDM4ESMN1; SMN2HSD17B10DYRK1ACDK1
SCHEMBL4710848 0.82 DYRK1A (0.45) NPC1RAB9AKDM4EHSD17B10DYRK1A
SCHEMBL4710475 0.82 KDM4E (0.38) NPC1KDM4ESMN1; SMN2CYP1A2CYP3A4
SCHEMBL4711596 0.80 DCUN1D1 (0.45) KDM4ESMN1; SMN2HSD17B10DYRK1ABCHE
SCHEMBL5738765 0.79 KDM4E (0.40) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL5740066 0.79 KDM4E (0.40) NPC1RAB9AKDM4ESMN1; SMN2CCNB2
SCHEMBL5739471 0.77 KDM4E (0.38) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10

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 NPC1 711/4885RAB9A 2609/4885RUNX1 876/4885

“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.