SCHEMBL4183993

SCHEMBL4183993

N#CNC(=N)NCCNc1nc(-c2ccc(F)cc2)c2ccc(=O)n(-c3c(F)cccc3F)c2n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK13 O15264 4/20 0.34
▸ MAPK12 P53778 4/20 0.34
▸ MAPK11 Q15759 4/20 0.34
▸ MAPK14 Q16539 4/20 0.34
▸ SCN9A Q15858 4/20 0.34
▸ KCNH2 Q12809 1/20 0.33
▸ MEN1 O00255 4/20 0.32
▸ CYP1A2 P05177 4/20 0.32
▸ CASP1 P29466 4/20 0.32
▸ CASP7 P55210 4/20 0.32
▸ KMT2A Q03164 4/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ HIF1A Q16665 3/20 0.32
▸ HSD17B10 Q99714 3/20 0.32
▸ CYP2D6 P10635 2/20 0.32
▸ ALOX15 P16050 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ BRCA1 P38398 1/20 0.32
▸ USP2 O75604 3/20 0.32
▸ TSHR P16473 2/20 0.32

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
SCHEMBL4180987 0.90 MAPK14 (0.47) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL4267559 0.87 MAPK14 (0.41) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL4183313 0.86 MAPK13 (0.36) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL13853015 0.84 MAPK13 (0.35) MAPK13MAPK12MAPK11MAPK14SCN9A
SCHEMBL4183995 0.84 MAPK13 (0.34) MAPK13MAPK12MAPK11MAPK14SCN9A
SCHEMBL4176175 0.82 MAPK13 (0.41) MAPK13MAPK12MAPK11MAPK14SCN9A
SCHEMBL4180997 0.81 MAPK14 (0.39) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL4181956 0.78 MAPK14 (0.40) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL4181959 0.78 MAPK14 (0.40) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL4174248 0.77 MAPK13 (0.39) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090005401-A1 Novel Compounds GLAXO GROUP LIMITED 2009-01-01 — — US claimed
US-7423042-B2 Compounds GLAXO GROUP LIMITED (GB) 2008-09-09 — — US claimed
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 claimed
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-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 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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