SCHEMBL14519643

SCHEMBL14519643

COc1ccc(C[S+]([O-])c2[nH]nc(-c3ccc(F)cc3)c2-c2ccncc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.48
MAPK11 Q15759 7/20 0.48
MAPK13 O15264 2/20 0.48
MAPK12 P53778 2/20 0.48
GCGR P47871 2/20 0.48
ALOX5 P09917 1/20 0.48
SRC P12931 1/20 0.46
BRAF P15056 1/20 0.46
KDR P35968 1/20 0.46
RIPK3 Q9Y572 1/20 0.42
TGFBR1 P36897 1/20 0.40
KCNH2 Q12809 1/20 0.40
CCNE2 O96020 1/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
MAPK1 P28482 1/20 0.38

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
SCHEMBL14519617 0.77 MAPK14 (0.50) MAPK14MAPK11MAPK13MAPK12GCGR
SCHEMBL14519631 0.77 MAPK14 (0.50) MAPK14MAPK11MAPK13MAPK12GCGR
SCHEMBL14519649 0.75 MAPK14 (0.48) MAPK14MAPK11MAPK13MAPK12GCGR
SCHEMBL4331193 0.73 MAPK14 (0.54) MAPK14MAPK11MAPK13MAPK12GCGR
SCHEMBL4336422 0.72 MAPK14 (0.45) MAPK14MAPK11MAPK13MAPK12GCGR
SCHEMBL1554749 0.67 MAPK14 (0.56) MAPK14MAPK11MAPK13MAPK12GCGR
SCHEMBL14519624 0.67 MAPK14 (0.46) MAPK14MAPK11GCGRCCNE2CDK4
SCHEMBL1554644 0.67 SRC (0.56) MAPK14MAPK11MAPK13MAPK12GCGR
SCHEMBL5258469 0.66 MAPK14 (0.69) MAPK14MAPK11MAPK13MAPK12GCGR
SCHEMBL14519418 0.66 MAPK14 (0.69) MAPK14MAPK11MAPK13MAPK12GCGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 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 (1 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-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 MAPK14 7/4885MAPK11 42/4885MAPK13 4/4885

“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.