SCHEMBL5858727

SCHEMBL5858727

O=c1[nH]c(-c2ccc(F)cc2)c(-c2ccncc2)n1CCCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.52
MAPK13 O15264 6/20 0.51
MAPK12 P53778 6/20 0.51
MAPK11 Q15759 6/20 0.51
GCGR P47871 3/20 0.51
RIPK3 Q9Y572 5/20 0.44
ALOX5 P09917 1/20 0.42

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
SCHEMBL6583283 1.00 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL6590838 0.89 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL5095878 0.79 RIPK3 (0.57) MAPK14GCGRRIPK3
SCHEMBL1127766 0.77 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL6587012 0.77 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL5091878 0.75 TDP1 (0.53) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL5858720 0.75 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL7139249 0.75 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL6581107 0.75 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL6509449 0.73 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11RIPK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7132544-B2 Process for the preparation of tetrasubstituted imidazole derivatives and novel crystalline structures thereof ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2006-11-07 US disclosed
US-7067671-B2 Process for the preparation of tetrasubstituted imidazole derivatives and novel crystalline structures thereof ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2006-06-27 US disclosed
US-20060030712-A1 Process for the preparation of tetrasubstituted imidazole derivatives and novel crystalline structures thereof ZHONG HUA 2006-02-09 US disclosed
EP-1508569-A2 Process for the preparation of tetrasubstituted imidazole derivatives and novel crystalline structures thereof Ortho-McNeil Pharmaceutical, Inc. (US) 2005-02-23 EP disclosed
EP-1506966-A2 Process for the preparation of tetrasubstituted imidazole derivatives and novel crystaline structures thereof Ortho-Mcneil Pharmaceutical, Inc. (US) 2005-02-16 EP disclosed
US-20030045723-A1 Process for the preparation of tetrasubstituted imidazole derivatives and novel crystalline structures thereof ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-03-06 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-20030045723-A1 Process for the preparation of tetrasubstituted imidazole derivatives and novel crystalline structures thereof CYP4B1, IPO4, RPS4Y1 MAPK14 2413/4885MAPK13 2524/4885MAPK12 2719/4885
US-20060030712-A1 Process for the preparation of tetrasubstituted imidazole derivatives and novel crystalline structures thereof CYP4F3, CYP4F2, CYP4B1 MAPK14 2729/4885MAPK13 3001/4885MAPK12 2499/4885

“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.