SCHEMBL9923014

SCHEMBL9923014

CNc1ccc2c(=O)n(-c3cnc(NC(=O)NCc4ccc(Cl)s4)cn3)c(=O)[nH]c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.40
ERCC1 P07992 1/20 0.36
FEN1 P39748 1/20 0.36
ERCC4 Q92889 1/20 0.36
EGLN3 Q9H6Z9 2/20 0.36
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAG3 Q9UGI9 1/20 0.35
PRKAG2 Q9UGJ0 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35
HSP90AA1 P07900 2/20 0.34
CA12 O43570 2/20 0.34
CA9 Q16790 2/20 0.34
TP53 P04637 3/20 0.33
RXFP1 Q9HBX9 2/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 2/20 0.33
GCK P35557 1/20 0.32

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
SCHEMBL12177256 0.92 ERCC1 (0.36) P2RY12ERCC1FEN1ERCC4EGLN3
SCHEMBL9922410 0.88 P2RY12 (0.43) P2RY12ERCC1FEN1ERCC4EGLN3
SCHEMBL14200892 0.87 P2RY12 (0.42) P2RY12ERCC1FEN1ERCC4EGLN3
SCHEMBL13158914 0.85 MAPT (0.33) P2RY12EGLN3PRKAB2PRKAG1PRKAA2
SCHEMBL9923176 0.85 P2RY12 (0.58) P2RY12ERCC1FEN1ERCC4MAPT
SCHEMBL9923012 0.84 P2RY12 (0.45) P2RY12ERCC1FEN1ERCC4EGLN3
SCHEMBL9923010 0.82 P2RY12 (0.48) P2RY12ERCC1FEN1ERCC4PRKAB2
SCHEMBL9923272 0.82 P2RY12 (0.44) P2RY12ERCC1FEN1ERCC4PRKAB2
SCHEMBL9923013 0.82 P2RY12 (0.49) P2RY12ERCC1FEN1ERCC4PRKAB2
SCHEMBL9922402 0.81 EGLN3 (0.40) P2RY12ERCC1FEN1ERCC4EGLN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524721-B2 Platelet ADP receptor inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2013-09-03 US disclosed
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
US-7622474-B2 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-24 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.