SCHEMBL4711451

SCHEMBL4711451

COc1cc2c(-c3ccccc3)nc3c(C)n[nH]c3c2cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.49
PDE3A Q14432 1/20 0.49
WHR1 P49842 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
USP2 O75604 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ADORA3 P0DMS8 4/20 0.42
ADORA1 P30542 4/20 0.42
TP53 P04637 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL5246374 0.88 TP53 (0.52) HSD17B10ADORA1TP53KDM4EGAA
SCHEMBL4714832 0.87 CHEK1 (0.46) PDE3AALDH1A1HSD17B10KDM4EMAPT
SCHEMBL4713601 0.85 BCHE (0.47) L3MBTL1ALDH1A1HSD17B10KDM4EMEN1
SCHEMBL5246987 0.83 PDE4A (0.59) L3MBTL1ALDH1A1HPGDHSD17B10ADORA1
SCHEMBL5246387 0.83 SMN1; SMN2 (0.40) L3MBTL1ALDH1A1HPGDHSD17B10ADORA3
SCHEMBL4712870 0.82 ALDH1A1 (0.45) PDE3BPDE3AALDH1A1HPGDHSD17B10
SCHEMBL5249079 0.80 PDE4A (0.45) ALDH1A1HPGDADORA3ADORA1KDM4E
SCHEMBL5740576 0.79 DCLK1 (0.50) L3MBTL1ALDH1A1HPGDTP53MEN1
SCHEMBL5739378 0.79 MAP2K4 (0.50) ALDH1A1KDM4EMEN1POLBGAA
SCHEMBL5739673 0.79 KDM4E (0.45) L3MBTL1ALDH1A1USP2HSD17B10ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6841556-B2 Pyrazoloisoquinoline derivatives for inhibiting NFκB-inducing kinase AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-01-11 US claimed
US-20040097541-A1 Pyrazoloisoquinoline derivatives for inhibiting NFkappaB-inducing kinase AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-05-20 US claimed
WO-2004005287-A9 PYRAZOLOISOQUINOLINE DERIVATIVES FOR INHIBITING NFKAPPAB-INDUCING KINASE (NIK) AVENTIS PHARMA GMBH (DE) 2004-03-04 WO claimed
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 PDE3B 1563/4885PDE3A 1878/4885WHR1 3549/4885
US-20050009859-A1 Pyrazoloisoquinoline derivative as kinase inhibitors for the treatment of various disorders PRKDC, MAP3K2, MAP3K20 PDE3B 2379/4885PDE3A 2728/4885WHR1 3084/4885

“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.