SCHEMBL638868

SCHEMBL638868

COc1cc(C)c(-c2nc3ccc(F)c(F)c3n2Cc2c(C)cccc2C)c(OCC(N)=O)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.38
FGFR1 P11362 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR4 P22455 1/20 0.33
FGFR3 P22607 1/20 0.33
KDR P35968 1/20 0.33
PDE10A Q9Y233 3/20 0.33
DPP4 P27487 2/20 0.32
MAPT P10636 1/20 0.32
PTGER2 P43116 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
KCNK13 Q9HB14 1/20 0.32
PLA2G2A P14555 1/20 0.32
GNRHR P30968 3/20 0.31

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
SCHEMBL639315 0.86 FFAR1 (0.37) FFAR1PDE10AADORA2AADORA1PLA2G2A
SCHEMBL639218 0.85 BRD4 (0.36) FFAR1FGFR1FGFR2FGFR4FGFR3
SCHEMBL639125 0.82 KCNN4 (0.41) FFAR1PDE10AADORA1KCNK13PLA2G2A
SCHEMBL10085137 0.78 FFAR1 (0.37) FFAR1FGFR1FGFR2FGFR4FGFR3
SCHEMBL2907759 0.73 PLA2G2A (0.43) MAPTPLA2G2A
SCHEMBL2905371 0.72 POLB (0.46) PLA2G2A
SCHEMBL2902355 0.71 HTT (0.44) MAPTPLA2G2A
SCHEMBL638972 0.69 BRD4 (0.41) PDE10AADORA1PLA2G2A
SCHEMBL638729 0.69 PLA2G2A (0.43) ADORA1PLA2G2A
SCHEMBL2287588 0.68 MAPT (0.37) FFAR1FGFR1FGFR4MAPTPTGER2

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-8119675-B2 Benzimidazole derivatives MERCK PATENT GMBH (DE) 2012-02-21 US claimed
EP-2121627-B1 BENZIMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2010-08-18 EP claimed
US-20100016372-A1 Benzimidazole Derivatives MERCK PATENT GMBH (DE) 2010-01-21 US claimed

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-20100016372-A1 Benzimidazole Derivatives GPR119, GLP1R, H1-3 FFAR1 700/4885FGFR1 708/4885FGFR2 1912/4885

“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.