SCHEMBL4710882

SCHEMBL4710882

COc1cccc(C(=O)Nc2c(C)n[nH]c2-c2ccccc2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.73
LMNA P02545 2/20 0.59
ALDH1A1 P00352 1/20 0.59
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
POLB P06746 2/20 0.57
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
TSHR P16473 3/20 0.55
NPSR1 Q6W5P4 1/20 0.55
KCNK3 O14649 1/20 0.54
KCNK9 Q9NPC2 1/20 0.54
MAPT P10636 1/20 0.54
ALOX15 P16050 1/20 0.53
HSD17B10 Q99714 1/20 0.53
CCNA2 P20248 1/20 0.53
CDK2 P24941 1/20 0.53
CCNA1 P78396 1/20 0.53
KDM4E B2RXH2 2/20 0.52
HTT P42858 1/20 0.52

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
SCHEMBL4715147 0.93 SMN1; SMN2 (0.73) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL5247422 0.91 SMN1; SMN2 (0.59) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL4712758 0.87 SMN1; SMN2 (0.57) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL5248158 0.87 SMN1; SMN2 (0.67) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL5739759 0.86 MEN1 (0.52) SMN1; SMN2ALDH1A1MEN1KMT2APOLB
SCHEMBL4715305 0.85 F2 (0.54) SMN1; SMN2LMNAKMT2APOLBNPC1
SCHEMBL5252153 0.84 PKM (0.54) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL5739653 0.84 NPC1 (0.56) SMN1; SMN2ALDH1A1MEN1KMT2ANPC1
SCHEMBL5249987 0.82 RAB9A (0.53) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL5252833 0.82 SMN1; SMN2 (0.48) SMN1; SMN2LMNAALDH1A1MEN1KMT2A

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-1644371-B1 PYRAZOLOISOQUINOLINE DERIVATIVES AS KINASE INHIBITORS AVENTIS PHARMA INC (US) 2008-02-13 EP disclosed
EP-1519934-B1 PYRAZOLOISOQUINOLINE DERIVATIVES FOR INHIBITING NF$G(K)B-INDUCING KINASE (NIK) SANOFI AVENTIS DEUTSCHLAND (DE) 2007-09-19 EP disclosed
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
US-6841556-B2 Pyrazoloisoquinoline derivatives for inhibiting NFκB-inducing kinase AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-01-11 US disclosed
US-20040097541-A1 Pyrazoloisoquinoline derivatives for inhibiting NFkappaB-inducing kinase AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-05-20 US disclosed
WO-2004005287-A9 PYRAZOLOISOQUINOLINE DERIVATIVES FOR INHIBITING NFKAPPAB-INDUCING KINASE (NIK) AVENTIS PHARMA GMBH (DE) 2004-03-04 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 (2 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-20040097541-A1 Pyrazoloisoquinoline derivatives for inhibiting NFkappaB-inducing kinase NFKBIA, IKBKB, IKBKG SMN1; SMN2 3029/4885LMNA 2200/4885ALDH1A1 3472/4885
US-20050009859-A1 Pyrazoloisoquinoline derivative as kinase inhibitors for the treatment of various disorders PRKDC, MAP3K2, MAP3K20 SMN1; SMN2 1475/4885LMNA 1662/4885ALDH1A1 3249/4885

“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.