SCHEMBL4179772

SCHEMBL4179772

CSc1nc(-c2ccccc2C)c2ccc(=O)n(-c3c(F)cccc3F)c2n1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.47
MAPK13 O15264 9/20 0.47
MAPK12 P53778 9/20 0.47
MAPK11 Q15759 9/20 0.47
PDE7A Q13946 8/20 0.45
PDE4A P27815 2/20 0.45
PDE4B Q07343 2/20 0.45
PDE4C Q08493 2/20 0.45
PDE4D Q08499 2/20 0.45
PDE7B Q9NP56 2/20 0.45
KCNH2 Q12809 1/20 0.41
KDM4E B2RXH2 1/20 0.38
HSP90AA1 P07900 1/20 0.36

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
SCHEMBL1061075 0.92 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11PDE7A
SCHEMBL14028120 0.89 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11PDE7A
SCHEMBL1065155 0.89 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11PDE7A
SCHEMBL14046335 0.89 MAPK13 (0.41) MAPK14MAPK13MAPK12MAPK11PDE7A
SCHEMBL2719310 0.87 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11PDE7A
SCHEMBL4473185 0.85 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11PDE7A
SCHEMBL2719589 0.84 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11PDE7A
SCHEMBL5584207 0.83 MAPK14 (0.38) MAPK14MAPK13MAPK12MAPK11PDE7A
SCHEMBL14028119 0.83 PDE7A (0.41) MAPK14MAPK13MAPK12MAPK11PDE7A
SCHEMBL1063961 0.83 HSP90AB1 (0.44) MAPK14MAPK13MAPK12MAPK11PDE7A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137550-A1 Novel Compounds GLAXO GROUP LIMITED 2009-05-28 US disclosed
US-20090137550-A1 Novel Compounds GLAXO GROUP LIMITED 2009-05-28 US disclosed
US-20090137550-A1 Novel Compounds GLAXO GROUP LIMITED 2009-05-28 US disclosed
US-20090005401-A1 Novel Compounds GLAXO GROUP LIMITED 2009-01-01 US disclosed
US-20090005401-A1 Novel Compounds GLAXO GROUP LIMITED 2009-01-01 US disclosed
US-20090005401-A1 Novel Compounds GLAXO GROUP LIMITED 2009-01-01 US disclosed
US-7423042-B2 Compounds GLAXO GROUP LIMITED (GB) 2008-09-09 US disclosed
US-7423042-B2 Compounds GLAXO GROUP LIMITED (GB) 2008-09-09 US disclosed
US-7423042-B2 Compounds GLAXO GROUP LIMITED (GB) 2008-09-09 US disclosed
US-20060217401-A1 e.g. 8-Alkyl/Aryl-4-aryl-2-N-(alkylamino)-N''-substituted-N'-cyanoguanidino-8H-pyrido[2,3-d]pyrimidin-7-one compounds; CSBP/p38 kinase inhibitor; antiinflammatory agent; inflammatory bowel disease; tuberculosis, atherosclerosis, muscle degeneration, cachexia, psoriatic arthritis, rheumatoid arthritis GLAXO GROUP LIMITED (GB) 2006-09-28 US 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-20060217401-A1 e.g. 8-Alkyl/Aryl-4-aryl-2-N-(alkylamino)-N''-substituted-N'-cyanoguanidino-8H-pyrido[2,3-d]pyrimidin-7-one compounds; CSBP/p38 kinase inhibitor; antiinflammatory agent; inflammatory bowel disease; tuberculosis, atherosclerosis, muscle degeneration, cachexia, psoriatic arthritis, rheumatoid arthritis MAPK8, MAPKAPK2, MAPK7 MAPK14 14/4885MAPK13 19/4885MAPK12 37/4885
US-20090005401-A1 Novel Compounds MAPKAPK2, CREBBP, MAPK8 MAPK14 53/4885MAPK13 51/4885MAPK12 39/4885
US-20090137550-A1 Novel Compounds MAPKAPK2, CREBBP, MAPK8 MAPK14 53/4885MAPK13 51/4885MAPK12 39/4885

“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.