SCHEMBL9922586

SCHEMBL9922586

CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(C)s4)cc3F)cc(C#N)c2c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.40
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
IMPDH2 P12268 5/20 0.35
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
CA12 O43570 4/20 0.33
CA9 Q16790 4/20 0.33
KIT P10721 1/20 0.31
BLM P54132 1/20 0.31
WRN Q14191 1/20 0.31
AR P10275 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL12160875 0.92 P2RY12 (0.49) P2RY12MEN1KMT2AIMPDH2
SCHEMBL13638624 0.91 P2RY12 (0.36) P2RY12IMPDH2BRD4CREBBPCA12
SCHEMBL9922629 0.91 P2RY12 (0.39) P2RY12IMPDH2BRD4CREBBPCA12
SCHEMBL9922282 0.90 P2RY12 (0.43) P2RY12MEN1KMT2ABRD4CREBBP
SCHEMBL9922612 0.88 KMT2A (0.39) P2RY12MEN1KMT2AIMPDH2CA12
SCHEMBL9922284 0.88 P2RY12 (0.42) P2RY12MEN1KMT2ABRD4CREBBP
SCHEMBL9923020 0.88 P2RY12 (0.41) P2RY12MEN1KMT2AIMPDH2BRD4
SCHEMBL9922581 0.86 P2RY12 (0.41) P2RY12MEN1KMT2ABRD4CREBBP
SCHEMBL13638554 0.86 P2RY12 (0.41) P2RY12MEN1KMT2ABRD4CREBBP
SCHEMBL13182775 0.85 P2RY12 (0.40) P2RY12MEN1KMT2ABRD4CREBBP

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 2 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-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 (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-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 P2RY12 18/4885MEN1 4499/4885KMT2A 3023/4885

“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.