SCHEMBL953285

SCHEMBL953285

CCOC(=O)N1CCN(C(=O)C(CCc2nn[nH]n2)NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 12/20 0.45
NAALAD2 Q9Y3Q0 2/20 0.43
TGM2 P21980 1/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL953282 1.00 P2RY12 (0.45) P2RY12NAALAD2TGM2MAPK1MEN1
SCHEMBL952940 0.93 P2RY12 (0.48) P2RY12MEN1KMT2AMAPT
SCHEMBL952941 0.93 P2RY12 (0.48) P2RY12MEN1KMT2AMAPT
SCHEMBL953397 0.80 NAALAD2 (0.67) NAALAD2CA12CA1CA2CA9
SCHEMBL953399 0.80 NAALAD2 (0.67) NAALAD2CA12CA1CA2CA9
Trifluoroacetic Acid SCHEMBL952655 0.77 DPP4 (0.44) P2RY12NAALAD2MEN1KMT2ACA12
SCHEMBL2585308 0.77 P2RY12 (0.50) P2RY12
SCHEMBL2585311 0.77 P2RY12 (0.50) P2RY12
SCHEMBL3331688 0.77 HRH2 (0.45) P2RY12MEN1KMT2AMAPT
SCHEMBL3331681 0.77 HRH2 (0.45) P2RY12MEN1KMT2AMAPT

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-8426420-B2 Heterocyclic pyrazole-carboxamidesas P2Y12 antagonists SANOFI (FR) 2013-04-23 US disclosed
EP-2238128-B1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS SANOFI SA (FR) 2012-08-22 EP disclosed
US-20110021537-A1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDESAS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2011-01-27 US disclosed
EP-2238128-A2 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-10-13 EP disclosed
WO-2009080226-A2 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS SANOFIS-AVENTIS (FR) 2009-07-02 WO 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-20110021537-A1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDESAS P2Y12 ANTAGONISTS P2RY1, P2RY12, P2RY11 P2RY12 2/4885NAALAD2 2399/4885TGM2 3869/4885

“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.