SCHEMBL4179234

SCHEMBL4179234

NCCNc1nc(-c2ccc(F)cc2F)c2ccc(=O)n(-c3ccccc3F)c2n1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 8/20 0.48
▸ MAPK13 O15264 7/20 0.48
▸ MAPK12 P53778 7/20 0.48
▸ MAPK11 Q15759 7/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ BCDIN3D Q7Z5W3 3/20 0.39
▸ CDK1 P06493 3/20 0.35
▸ ADORA1 P30542 2/20 0.33
▸ FERMT2 Q96AC1 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA2B P29275 1/20 0.33

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
SCHEMBL4179781 0.90 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL13853012 0.84 MAPK14 (0.40) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL4180999 0.83 MAPK14 (0.40) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL1066565 0.83 MAPK13 (0.40) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL4180997 0.83 MAPK14 (0.39) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL1066069 0.82 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL1061597 0.82 MAPK13 (0.43) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL1065587 0.79 MAPK14 (0.40) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL13853011 0.79 MAPK14 (0.36) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL1064216 0.79 MAT2A (0.39) MAPK14MAPK13MAPK12MAPK11

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.

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