SCHEMBL5100537

SCHEMBL5100537

c1ccc(Cc2cnc(NCCNc3ccccn3)nc2-c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FABP1 P07148 1/20 0.44
FABP6 P51161 1/20 0.44
CYP1A2 P05177 1/20 0.40
GABRA5 P31644 1/20 0.39
CXCR4 P61073 1/20 0.39
ADORA1 P30542 3/20 0.39
CYP2C19 P33261 1/20 0.39
GPR84 Q9NQS5 1/20 0.38
HIF1A Q16665 2/20 0.37
PCSK9 Q8NBP7 1/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL5094987 0.86 GABRA5 (0.43) FABP1FABP6CYP1A2GABRA5CXCR4
SCHEMBL7015556 0.77 FABP1 (0.41) FABP1FABP6GABRA5CXCR4HIF1A
SCHEMBL5089504 0.76 PRKCQ (0.41) CYP1A2GABRA5HPGDKDM4EALDH1A1
SCHEMBL5100516 0.72 VCP (0.47) FABP1FABP6CYP1A2CXCR4CYP2C19
SCHEMBL5099037 0.72 KDM4E (0.46) CYP1A2GABRA5ADORA1CYP2C19HIF1A
SCHEMBL19322388 0.70 ALDH1A1 (0.67) FABP1FABP6CYP1A2CXCR4CYP2C19
SCHEMBL3265804 0.70 CYP1A2 (0.70) FABP1FABP6CYP1A2CXCR4CYP2C19
SCHEMBL5766966 0.68 FABP1 (0.73) FABP1FABP6CYP1A2CXCR4CYP2C19
SCHEMBL5100245 0.68 ABL1 (0.58)
SCHEMBL29594283 0.67 CYP1A2 (0.68) FABP1FABP6CYP1A2CXCR4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7425557-B2 Inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-16 US disclosed
US-7045519-B2 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-05-16 US disclosed
US-7037918-B2 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-05-02 US disclosed
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-04-27 US disclosed
EP-1087963-B1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORP (US) 2004-08-25 EP disclosed
US-20030130289-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2003-07-10 US disclosed
EP-1317433-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2003-06-11 EP disclosed
US-6489344-B1 FOR TREATMENT DIABETES IN A HUMAN OR ANIMAL SUBJECT CHIRON CORPORATION 2002-12-03 US disclosed
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2002-10-24 US disclosed
US-6417185-B1 HETEROCYCLIC ENZYME INHIBITORS CHIRON CORPORATION 2002-07-09 US disclosed
WO-2002020495-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2002-03-14 WO disclosed
EP-1087963-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 Chiron Corporation (US) 2001-04-04 EP disclosed
WO-1999065897-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 1999-12-23 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 (3 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-20030130289-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB FABP1 1896/4885FABP6 2612/4885CYP1A2 2168/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB FABP1 2011/4885FABP6 2802/4885CYP1A2 2056/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB FABP1 2011/4885FABP6 2802/4885CYP1A2 2056/4885

“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.