SCHEMBL4982276

SCHEMBL4982276

CCCSc1nccc(-c2c(-c3ccc(F)cc3)ncn2[C@@H](C)CO)n1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.53
TGFBR1 P36897 14/20 0.46
MAPK13 O15264 2/20 0.45
MAPK12 P53778 2/20 0.45
MAPK11 Q15759 2/20 0.45
TGFBR2 P37173 3/20 0.44
MAP4K4 O95819 1/20 0.41
TNIK Q9UKE5 1/20 0.41
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CSNK1E P49674 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40

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
SCHEMBL4982278 1.00 MAPK14 (0.53) MAPK14TGFBR1MAPK13MAPK12MAPK11
SCHEMBL7047351 0.95 MAPK14 (0.52) MAPK14TGFBR1MAPK13MAPK12MAPK11
SCHEMBL7051078 0.89 MAPK14 (0.51) MAPK14TGFBR1MAPK13MAPK12MAPK11
SCHEMBL7046680 0.88 MAPK14 (0.46) MAPK14TGFBR1MAPK13MAPK12MAPK11
SCHEMBL7046683 0.88 MAPK14 (0.46) MAPK14TGFBR1MAPK13MAPK12MAPK11
SCHEMBL7046364 0.87 MAPK14 (0.47) MAPK14TGFBR1MAPK13MAPK12MAPK11
SCHEMBL7046684 0.84 MAPK14 (0.46) MAPK14TGFBR1MAPK13MAPK12MAPK11
SCHEMBL24171084 0.80 MAPK14 (0.59) MAPK14TGFBR1MAPK13MAPK12MAPK11
SCHEMBL7047831 0.80 MAPK14 (0.59) MAPK14TGFBR1MAPK13MAPK12MAPK11
SCHEMBL4984324 0.79 MAPK14 (0.51) MAPK14TGFBR1MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080114010-A1 Novel Substituted Imidazole Compounds SMITHKLINE BEECHAM CORPORATION 2008-05-15 US disclosed
EP-1014976-B1 NOVEL SUBSTITUTED IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2005-03-02 EP disclosed
US-6569871-B1 Antiinflammatory agents SMITHKLINE BEECHAM CORPORATION 2003-05-27 US disclosed
US-20030069243-A1 Novel substituted imidazole compounds SMITHKLINE BEECHAM CORPORATION 2003-04-10 US disclosed
US-6489325-B1 INHIBITORS OF CSBP/P38, ONE OF SEVERAL KINASES INVOLVED IN A STRESS-RESPONSE SIGNAL TRANSDUCTION, DECREASE THE SYNTHESIS OF A WIDE VARIETY OF PRO-INFLAMMATORY PROTEINS INCLUDING, IL-6, IL-8, GM-CSF, AND COX-2 SMITHKLINE BEECHAM CORPORATION 2002-12-03 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 (2 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-20080114010-A1 Novel Substituted Imidazole Compounds CREBBP, MAPKAPK2, ATF1 MAPK14 70/4885TGFBR1 1336/4885MAPK13 54/4885
US-20030069243-A1 Novel substituted imidazole compounds CREBBP, MAPKAPK2, CDC42BPB MAPK14 92/4885TGFBR1 1384/4885MAPK13 88/4885

“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.