SCHEMBL4092467

SCHEMBL4092467

CSc1nc(-c2ccnc(Cl)c2)cc(=O)[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.52
MAPK12 P53778 1/20 0.52
MAPK11 Q15759 1/20 0.52
MAPK14 Q16539 1/20 0.52
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
PKM P14618 1/20 0.43
IDO1 P14902 2/20 0.42
GSK3B P49841 6/20 0.42
CDC7 O00311 1/20 0.40
ROCK2 O75116 1/20 0.40
MAP4K4 O95819 1/20 0.40
CDK2 P24941 1/20 0.40
MAPKAPK2 P49137 1/20 0.40
HIPK2 Q9H2X6 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PARP10 Q53GL7 1/20 0.40
PARP11 Q9NR21 1/20 0.40

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
SCHEMBL5038082 0.81 GSK3B (0.64) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL5381452 0.79 GSK3B (0.65) IDO1GSK3BCDC7ROCK2MAP4K4
SCHEMBL26039905 0.76 ALDH1A1 (0.70) ALDH1A1POLBGSK3BKMT2A
SCHEMBL10156777 0.75 POLB (0.42) MAPK13MAPK12MAPK11MAPK14POLB
SCHEMBL18931726 0.73 PKM (0.53) POLBPKMKDM4EKMT2A
SCHEMBL4084793 0.72 IDO1 (0.44) MAPK13MAPK12MAPK11MAPK14POLB
SCHEMBL4089829 0.71 GSK3B (0.46) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL5383593 0.71 GSK3B (0.72) MAPK13MAPK12MAPK11MAPK14GSK3B
SCHEMBL4084553 0.70 IDO1 (0.42) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL4457807 0.69 MAPK14 (0.91) MAPK13MAPK12MAPK11MAPK14GSK3B

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
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-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-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
US-20090149468-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-06-11 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 MAPK13 300/4885MAPK12 756/4885MAPK11 573/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 MAPK13 321/4885MAPK12 639/4885MAPK11 588/4885

“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.