SCHEMBL9923020

SCHEMBL9923020

CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(C)s4)cc3)cc(C#N)c2c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 3/20 0.41
IMPDH2 P12268 4/20 0.38
LMNA P02545 2/20 0.34
ESRRA P11474 1/20 0.34
TP53 P04637 1/20 0.34
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 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
SCHEMBL9922470 0.92 P2RY12 (0.51) P2RY12IMPDH2LMNAMEN1MAPT
SCHEMBL12177337 0.90 P2RY12 (0.37) P2RY12IMPDH2LMNAESRRATP53
SCHEMBL9922150 0.88 P2RY12 (0.41) P2RY12IMPDH2LMNAESRRATP53
SCHEMBL9922586 0.88 P2RY12 (0.40) P2RY12IMPDH2BRD4CREBBPMEN1
SCHEMBL9922050 0.88 P2RY12 (0.36) P2RY12IMPDH2BRD4CREBBPMEN1
SCHEMBL9922629 0.88 P2RY12 (0.39) P2RY12IMPDH2BRD4CREBBPCA12
SCHEMBL13638624 0.88 P2RY12 (0.36) P2RY12IMPDH2BRD4CREBBPCA12
SCHEMBL12161531 0.87 P2RY12 (0.41) P2RY12IMPDH2LMNAESRRATP53
SCHEMBL13638621 0.85 P2RY12 (0.42) P2RY12TP53BRD4CREBBPSMN1; SMN2
SCHEMBL9923017 0.84 ESRRA (0.45) P2RY12LMNAESRRABRD4MAPT

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 18/4885IMPDH2 3419/4885LMNA 3603/4885

“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.