SCHEMBL9922970

SCHEMBL9922970

CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4cc(Cl)c(C)s4)cc3)cc(CN(C)C)c2c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.40
MAPK8 P45983 4/20 0.34
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA9 Q16790 2/20 0.32
TP53 P04637 1/20 0.31
CA2 P00918 1/20 0.31
KCNH2 Q12809 1/20 0.31
PPARG P37231 2/20 0.30
RAB9A P51151 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
NR2E3 Q9Y5X4 1/20 0.30
NCOR2 Q9Y618 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
SCHEMBL12161540 0.93 P2RY12 (0.40) P2RY12MAPK8KCNH2
SCHEMBL14228363 0.92 P2RY12 (0.36) P2RY12MAPK8CA12CA1CA9
SCHEMBL9922466 0.89 P2RY12 (0.49) P2RY12MAPK8KCNH2
SCHEMBL12177188 0.89 P2RY12 (0.40) P2RY12MAPK8CA12CA9PPARG
SCHEMBL9922152 0.86 P2RY12 (0.41) P2RY12CA12CA1CA9TP53
SCHEMBL9922975 0.86 P2RY12 (0.42) P2RY12CA12CA1CA9TP53
SCHEMBL9922974 0.85 MAPT (0.39) P2RY12CA1CA9TP53CA2
SCHEMBL9922151 0.85 P2RY12 (0.41) P2RY12CA12CA1CA9CA2
SCHEMBL9922150 0.84 P2RY12 (0.41) P2RY12CA12CA1CA9TP53
SCHEMBL9922785 0.83 ESRRA (0.42) P2RY12MAPK8CA12CA1CA9

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 1 patent. 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

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 18/4885MAPK8 1550/4885CA12 4616/4885

“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.