SCHEMBL5739673

SCHEMBL5739673

Cc1n[nH]c2c1nc(-c1ccccc1)c1ccc(Cl)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.45
KMT2A Q03164 3/20 0.45
NPSR1 Q6W5P4 3/20 0.45
CASP1 P29466 2/20 0.45
MEN1 O00255 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAT2A P31153 1/20 0.45
ADORA1 P30542 1/20 0.43
MAPK1 P28482 1/20 0.43
FABP3 P05413 1/20 0.42
FABP4 P15090 1/20 0.42
MAPT P10636 5/20 0.42
GAA P10253 1/20 0.42
POLB P06746 1/20 0.41
RAD52 P43351 1/20 0.41
DHODH Q02127 2/20 0.41
TP53 P04637 1/20 0.40
ALDH1A1 P00352 4/20 0.40
LMNA P02545 3/20 0.40
USP2 O75604 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
SCHEMBL5739946 0.85 CRHR1 (0.47) KDM4EKMT2ANPSR1MEN1MAPK1
SCHEMBL4712870 0.84 ALDH1A1 (0.45) KDM4EKMT2ANPSR1MEN1HSD17B10
SCHEMBL5739378 0.84 MAP2K4 (0.50) KDM4EKMT2AMEN1GAAPOLB
SCHEMBL5738765 0.83 KDM4E (0.40) KDM4EKMT2ANPSR1MEN1HSD17B10
SCHEMBL5738972 0.82 PSMB5 (0.41) KDM4ENPSR1ALDH1A1
SCHEMBL5740576 0.79 DCLK1 (0.50) KMT2AMEN1MAPTPOLBTP53
SCHEMBL4711451 0.79 PDE3B (0.49) KDM4EKMT2AMEN1HSD17B10ADORA1
SCHEMBL5738501 0.78 CRHR1 (0.51) KDM4EMAPK1MAPTGAAALDH1A1
SCHEMBL4711618 0.77 PSMB5 (0.41) KDM4EALDH1A1
SCHEMBL4713601 0.77 BCHE (0.47) KDM4EKMT2ANPSR1MEN1HSD17B10

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 KDM4E 3336/4885KMT2A 1552/4885NPSR1 4181/4885

“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.