SCHEMBL4985137

SCHEMBL4985137

C[C@H](CO)n1cnc(-c2ccc(F)cc2)c1-c1ccnc(Oc2ccccc2)n1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.61
BRDT Q58F21 2/20 0.49
BRD4 O60885 1/20 0.49
MAPK11 Q15759 1/20 0.49

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
SCHEMBL4986365 1.00 MAPK14 (0.61) MAPK14BRDTBRD4MAPK11
SCHEMBL4982773 1.00 MAPK14 (0.61) MAPK14BRDTBRD4MAPK11
SCHEMBL4982396 0.95 MAPK14 (0.56) MAPK14BRDTBRD4
SCHEMBL4987784 0.95 MAPK14 (0.56) MAPK14BRDTBRD4
SCHEMBL4982406 0.95 MAPK14 (0.56) MAPK14BRDTBRD4
SCHEMBL5619882 0.92 MAPK14 (0.59) MAPK14BRDTBRD4MAPK11
SCHEMBL4981276 0.91 MAPK14 (0.60) MAPK14BRDTBRD4
SCHEMBL4981279 0.91 MAPK14 (0.60) MAPK14BRDTBRD4
SCHEMBL4984681 0.91 MAPK14 (0.62) MAPK14
SCHEMBL4987831 0.90 MAPK14 (0.59) MAPK14BRDTBRD4

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 3 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
US-7301021-B2 Substituted imidazole compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-11-27 US disclosed
US-20030114452-A1 Novel substituted imidazole compounds SMITHKLINE BEECHAM CORPORATION 2003-06-19 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-20030114452-A1 Novel substituted imidazole compounds CREBBP, MAPKAPK2, ATF1 MAPK14 70/4885BRDT 124/4885BRD4 26/4885
US-20080114010-A1 Novel Substituted Imidazole Compounds CREBBP, MAPKAPK2, ATF1 MAPK14 70/4885BRDT 124/4885BRD4 26/4885

“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.