SCHEMBL4710873

SCHEMBL4710873

Cc1n[nH]c2c1nc(-c1cccc(O)c1)c1ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 4/20 0.43
TOP1 P11387 4/20 0.41
KIF11 P52732 4/20 0.41
JAK1 P23458 2/20 0.39
TYK2 P29597 2/20 0.39
BRAF P15056 2/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
PIK3CD O00329 1/20 0.39
PIK3C2B O00750 1/20 0.39
PDXK O00764 1/20 0.39
GAK O14976 1/20 0.39
MAP3K7 O43318 1/20 0.39
RIPK2 O43353 1/20 0.39
PIP5K1C O60331 1/20 0.39
STK16 O75716 1/20 0.39
PIK3C2G O75747 1/20 0.39
PRKD3 O94806 1/20 0.39

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
SCHEMBL5738326 0.86 NPC1 (0.46) MAP2K4CYP2C9NPC1ALDH1A1MAPT
SCHEMBL4712870 0.84 ALDH1A1 (0.45) GAATTKFLT3CSNK1A1CLK4
SCHEMBL5247807 0.84 JAK3 (0.43) PIK3CGMGAMGAASIMGAM2
SCHEMBL5739398 0.84 IDO1 (0.45) PRKD3FLT3CSNK1DCLK2CSNK2A1
SCHEMBL4713814 0.82 ADORA2A (0.50) PIK3CGGAACLK4CYP3A4CYP2C9
SCHEMBL4713052 0.81 TDO2 (0.48) MAPK13RAF1MAPK12MAPK11MAPK14
SCHEMBL5739682 0.79 ALDH1A1 (0.53) ALDH1A1LMNAMAPTHPGDHTT
SCHEMBL5738676 0.79 IDO1 (0.52) MAPK13RAF1MAPK12MAPK11MAPK14
SCHEMBL5246987 0.78 PDE4A (0.59) NPC1ALDH1A1LMNAMAPTHPGD
SCHEMBL4713600 0.78 MKNK1 (0.42) MGAMGAASIMGAM2MKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1519934-B1 PYRAZOLOISOQUINOLINE DERIVATIVES FOR INHIBITING NF$G(K)B-INDUCING KINASE (NIK) SANOFI AVENTIS DEUTSCHLAND (DE) 2007-09-19 EP claimed
US-6841556-B2 Pyrazoloisoquinoline derivatives for inhibiting NFκB-inducing kinase AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-01-11 US claimed
US-20040097541-A1 Pyrazoloisoquinoline derivatives for inhibiting NFkappaB-inducing kinase AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-05-20 US claimed
WO-2004005287-A9 PYRAZOLOISOQUINOLINE DERIVATIVES FOR INHIBITING NFKAPPAB-INDUCING KINASE (NIK) AVENTIS PHARMA GMBH (DE) 2004-03-04 WO claimed
EP-1644371-B1 PYRAZOLOISOQUINOLINE DERIVATIVES AS KINASE INHIBITORS AVENTIS PHARMA INC (US) 2008-02-13 EP disclosed
EP-1519934-B1 PYRAZOLOISOQUINOLINE DERIVATIVES FOR INHIBITING NF$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
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 PIK3CG 770/4885TOP1 2039/4885KIF11 2891/4885
US-20050009859-A1 Pyrazoloisoquinoline derivative as kinase inhibitors for the treatment of various disorders PRKDC, MAP3K2, MAP3K20 PIK3CG 680/4885TOP1 1904/4885KIF11 2970/4885

“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.