SCHEMBL4172336

SCHEMBL4172336

Cc1ccccc1-c1nc(NCCN)nc2c1ccc(=O)n2-c1c(F)cccc1F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK13 O15264 7/20 0.43
▸ MAPK12 P53778 7/20 0.43
▸ MAPK11 Q15759 7/20 0.43
▸ MAPK14 Q16539 7/20 0.43
▸ KCNH2 Q12809 1/20 0.40
▸ PDE7A Q13946 4/20 0.35
▸ PDE4A P27815 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE4C Q08493 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ PDE7B Q9NP56 1/20 0.35
▸ SYK P43405 1/20 0.34
▸ BCDIN3D Q7Z5W3 5/20 0.33
▸ CDK1 P06493 2/20 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
SCHEMBL1066069 0.90 MAPK14 (0.48) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL4179781 0.84 MAPK14 (0.58) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL13853014 0.84 MAPK13 (0.38) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL4183318 0.83 MAPK13 (0.35) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL4183313 0.83 MAPK13 (0.36) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL4176175 0.83 MAPK13 (0.41) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL1063681 0.81 MAPK14 (0.48) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL1065696 0.81 MAPK14 (0.50) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL10202435 0.80 MAPK14 (0.43) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL10202440 0.80 MAPK14 (0.47) MAPK13MAPK12MAPK11MAPK14KCNH2

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 12 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
EP-1868612-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-12-26 — — EP disclosed
WO-2006110298-A2 8-ALKYL/ARYL-4-ARYL-2-N- (ALKYLAMINO)-N'-SUBSTITUTED-N'-CYANOGUANIDINO-8H-PYRIDO[2,3-D]PYRIMIDIN-7-ONE COMPOUNDS AND USE THEREOF GLAXO GROUP LIMITED (GB) 2006-10-19 — — WO 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 MAPK13 19/4885MAPK12 37/4885MAPK11 78/4885
US-20090005401-A1 Novel Compounds MAPKAPK2, CREBBP, MAPK8 MAPK13 51/4885MAPK12 39/4885MAPK11 77/4885
US-20090137550-A1 Novel Compounds MAPKAPK2, CREBBP, MAPK8 MAPK13 51/4885MAPK12 39/4885MAPK11 77/4885

“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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