SCHEMBL9922283

SCHEMBL9922283

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.37
RPS6KB1 P23443 4/20 0.33
ATM Q13315 3/20 0.33
CDK2 P24941 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CDK1 P06493 1/20 0.32
PKM P14618 1/20 0.32
HTR1A P08908 1/20 0.31
HTR2A P28223 1/20 0.31
HTR7 P34969 1/20 0.31
HTR6 P50406 1/20 0.31
CHEK1 O14757 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
LMNA P02545 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
HTT P42858 1/20 0.30
FLT3 P36888 1/20 0.30
AURKB Q96GD4 1/20 0.30
CA12 O43570 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
SCHEMBL12160884 0.93 P2RY12 (0.45) P2RY12RPS6KB1ATMCDK2MEN1
SCHEMBL9922633 0.92 SMN1; SMN2 (0.36) P2RY12RPS6KB1MEN1KMT2ACHEK1
SCHEMBL9922208 0.90 MEN1 (0.36) P2RY12RPS6KB1ATMCDK2MEN1
SCHEMBL14113601 0.89 P2RY12 (0.38) P2RY12RPS6KB1ATMMEN1KMT2A
SCHEMBL12177281 0.88 EPHX2 (0.43) P2RY12SMN1; SMN2FLT3AURKBALDH1A1
SCHEMBL12177253 0.87 EPHX2 (0.46) LMNAL3MBTL1MAPK1
SCHEMBL12160993 0.86 P2RY12 (0.41) P2RY12RPS6KB1MEN1KMT2ASMN1; SMN2
SCHEMBL9922047 0.86 RPS6KB1 (0.35) P2RY12RPS6KB1ATMCDK2CDK1
SCHEMBL12177104 0.85 RPS6KB1 (0.32) RPS6KB1ATMCDK2CDK1PKM
SCHEMBL9922293 0.85 P2RY12 (0.40) P2RY12MEN1KMT2AHTR1AHTR2A

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 4 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
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 19/4885RPS6KB1 938/4885ATM 1908/4885
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 P2RY12 18/4885RPS6KB1 960/4885ATM 1865/4885

“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.