SCHEMBL2649680

SCHEMBL2649680

CCc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 13/20 0.79
MAPK14 Q16539 13/20 0.79
MAPK13 O15264 12/20 0.79
GCGR P47871 12/20 0.79
MAPK12 P53778 12/20 0.79
CSNK1A1 P48729 4/20 0.79
CSNK1D P48730 4/20 0.79
PRKD3 O94806 3/20 0.79
MAP4K4 O95819 3/20 0.79
FRK P42685 3/20 0.79
MAPK9 P45984 3/20 0.79
GSK3B P49841 3/20 0.79
CLK4 Q9HAZ1 3/20 0.79
PTK6 Q13882 2/20 0.79
PRKD2 Q9BZL6 2/20 0.79
ALOX5 P09917 13/20 0.77
PRKACA P17612 2/20 0.70
SLK Q9H2G2 2/20 0.70
ALDH1A1 P00352 2/20 0.70
CSNK1E P49674 2/20 0.70

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
SCHEMBL15075603 0.89 MAPK11 (1.00) MAPK11MAPK14MAPK13GCGRMAPK12
SCHEMBL19868925 0.89 MAPK11 (1.00) MAPK11MAPK14MAPK13GCGRMAPK12
SCHEMBL9201704 0.87 MAPK13 (0.79) MAPK11MAPK14MAPK13GCGRMAPK12
SCHEMBL4553281 0.87 ALOX5 (1.00) MAPK11MAPK14MAPK13GCGRMAPK12
SCHEMBL6465062 0.87 ALOX5 (1.00) MAPK11MAPK14MAPK13GCGRMAPK12
SCHEMBL19869017 0.87 MAPK14 (0.69) MAPK11MAPK14MAPK13GCGRMAPK12
SCHEMBL15987046 0.86 ALOX5 (0.74) MAPK11MAPK14MAPK13GCGRMAPK12
SCHEMBL19857273 0.86 MAPK11 (0.73) MAPK11MAPK14MAPK13GCGRMAPK12
SCHEMBL4552013 0.86 ALOX5 (1.00) MAPK11MAPK14MAPK13GCGRMAPK12
SCHEMBL27934587 0.86 MAPK11 (0.73) MAPK11MAPK14MAPK13GCGRMAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0959885-A4 TRIARYL SUBSTITUTED IMIDAZOLES AND METHODS OF USE MERCK & CO INC (US) 2002-07-17 EP claimed
EP-0959885-A1 TRIARYL SUBSTITUTED IMIDAZOLES AND METHODS OF USE Merck & Co., Inc. (US) 1999-12-01 EP claimed
WO-1998022108-A1 TRIARYL SUBSTITUTED IMIDAZOLES AND METHODS OF USE MERCK & CO., INC. (US) 1998-05-28 WO claimed
US-20180044316-A1 POTENTIATORS OF BETA-LACTAM ANTIBIOTICS UNIVERSITY OF NOTRE DAME DU LAC (US) 2018-02-15 US disclosed
US-20180044316-A1 POTENTIATORS OF BETA-LACTAM ANTIBIOTICS UNIVERSITY OF NOTRE DAME DU LAC (US) 2018-02-15 US disclosed
EP-0959885-A4 TRIARYL SUBSTITUTED IMIDAZOLES AND METHODS OF USE MERCK & CO INC (US) 2002-07-17 EP disclosed
EP-0959885-A1 TRIARYL SUBSTITUTED IMIDAZOLES AND METHODS OF USE Merck & Co., Inc. (US) 1999-12-01 EP disclosed
WO-1998022108-A1 TRIARYL SUBSTITUTED IMIDAZOLES AND METHODS OF USE MERCK & CO., INC. (US) 1998-05-28 WO 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-20180044316-A1 POTENTIATORS OF BETA-LACTAM ANTIBIOTICS CREB1, PPP6R1, PPP1R10 MAPK11 903/4885MAPK14 440/4885MAPK13 782/4885

“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.