SCHEMBL4089829

SCHEMBL4089829

CSc1nc(-c2ccnc(Cl)c2)cc(=O)n1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.46
IDO1 P14902 2/20 0.38
MAPK13 O15264 4/20 0.38
MAPK12 P53778 4/20 0.38
MAPK11 Q15759 4/20 0.38
MAPK14 Q16539 4/20 0.38
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
ALDH1A1 P00352 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PARP11 Q9NR21 1/20 0.36
CYP19A1 P11511 1/20 0.35
PRKCA P17252 1/20 0.35
PRKCD Q05655 1/20 0.35
PRKD1 Q15139 1/20 0.35
KCNH2 Q12809 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 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
SCHEMBL83555 0.83 GSK3B (0.49) GSK3BIDO1PARP10PARP11CYP19A1
SCHEMBL3743033 0.81 GSK3B (0.50) GSK3BMAPK13MAPK12MAPK11MAPK14
SCHEMBL19806123 0.74 HTT (0.40) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL21019936 0.74 MEN1 (0.45) GSK3BMAPK13MAPK12MAPK11MAPK14
SCHEMBL12207252 0.72 GSK3B (0.57) GSK3B
SCHEMBL19806120 0.72 SYK (0.43) PIK3CAALDH1A1CYP19A1
SCHEMBL4092467 0.71 MAPK13 (0.52) GSK3BIDO1MAPK13MAPK12MAPK11
SCHEMBL4084793 0.71 IDO1 (0.44) IDO1MAPK13MAPK12MAPK11MAPK14
SCHEMBL4084553 0.69 IDO1 (0.42) IDO1MAPK13MAPK12MAPK11MAPK14
SCHEMBL5205361 0.68 MAPT (0.54)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582631-B2 Paget's disease; muscular disorders; cardiovascular disorders; antiinflamamtory agents; antidiabetic agents; autoimmune disease; leukemia AMGEN INC. (US) 2009-09-01 US disclosed
US-20090149468-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-06-11 US disclosed
EP-1727821-A1 SUBSTITUTED DIAZABICYCLOHEPTANES AND THEIR USE AS PROTEIN KINASE INHIBITORS Amgen Inc. (US) 2006-12-06 EP disclosed
US-20050182072-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-08-18 US disclosed
WO-2005070934-A1 SUBSTITUTED DIAZABICYCLOHEPTANES AND THEIR USE AS PROTEIN KINASE INHIBITORS AMGEN INC. (US) 2005-08-04 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-20090149468-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 GSK3B 64/4885IDO1 105/4885MAPK13 300/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 GSK3B 86/4885IDO1 66/4885MAPK13 321/4885

“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.