SCHEMBL9922535

SCHEMBL9922535

CNc1ccc2c(=O)n(-c3ncc(NC(=O)NS(=O)(=O)c4cc(Cl)c(C)s4)cc3F)c(=O)[nH]c2c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.52
ERCC1 P07992 1/20 0.33
FEN1 P39748 1/20 0.33
ERCC4 Q92889 1/20 0.33
FBP1 P09467 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CA12 O43570 2/20 0.31
CA9 Q16790 2/20 0.31
HAVCR2 Q8TDQ0 1/20 0.31
MAPT P10636 2/20 0.31
MALT1 Q9UDY8 1/20 0.31
CA1 P00915 1/20 0.31
GCK P35557 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL12161652 0.94 P2RY12 (0.54) P2RY12ERCC1FEN1ERCC4FBP1
SCHEMBL13638380 0.92 P2RY12 (0.53) P2RY12ERCC1FEN1ERCC4FBP1
SCHEMBL9923175 0.90 P2RY12 (0.64) P2RY12ERCC1FEN1ERCC4FBP1
SCHEMBL12177356 0.90 P2RY12 (0.54) P2RY12ERCC1FEN1ERCC4FBP1
SCHEMBL9922966 0.88 P2RY12 (0.55) P2RY12ERCC1FEN1ERCC4MEN1
SCHEMBL9922961 0.88 P2RY12 (0.56) P2RY12ERCC1FEN1ERCC4MEN1
SCHEMBL9922984 0.87 P2RY12 (0.48) P2RY12ERCC1FEN1ERCC4MEN1
SCHEMBL9922967 0.87 P2RY12 (0.54) P2RY12ERCC1FEN1ERCC4MEN1
SCHEMBL12177673 0.85 P2RY12 (0.52) P2RY12ERCC1FEN1ERCC4MEN1
SCHEMBL9922968 0.84 P2RY12 (0.51) P2RY12ERCC1FEN1ERCC4FBP1

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-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-8067428-B2 Platelet ADP receptor inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2011-11-29 US disclosed
US-20100234350-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2010-09-16 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-20100234350-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 P2RY12 19/4885ERCC1 4645/4885FEN1 4319/4885
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 P2RY12 18/4885ERCC1 4644/4885FEN1 4319/4885

“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.