SCHEMBL5043685

SCHEMBL5043685

COC(=O)c1cccc2nc(Nc3cccnc3Oc3ccccc3C(C)(C)C)[nH]c12

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 20/20 0.50
P2RY14 Q15391 2/20 0.48

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
SCHEMBL5043925 0.92 P2RY1 (0.55) P2RY1P2RY14
SCHEMBL5039607 0.91 P2RY1 (0.54) P2RY1P2RY14
SCHEMBL5038980 0.87 P2RY1 (0.47) P2RY1P2RY14
SCHEMBL5048578 0.86 P2RY1 (0.48) P2RY1P2RY14
SCHEMBL5043615 0.86 P2RY1 (0.52) P2RY1
SCHEMBL5044571 0.86 MEN1 (0.49) P2RY1
SCHEMBL5044553 0.85 P2RY1 (0.54) P2RY1
SCHEMBL5044712 0.84 P2RY1 (0.48) P2RY1
SCHEMBL5044538 0.83 P2RY1 (0.48) P2RY1
SCHEMBL5039226 0.82 P2RY1 (0.50) P2RY1P2RY14

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1706398-B1 Amino-benzazoles as P2Y1 receptor inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-05-21 EP claimed
US-7470712-B2 Amino-benzazoles as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US claimed
JP-2007518809-A 2007-07-12 JP claimed
EP-1706398-A1 AMINO-BENZAZOLES AS P2Y1 RECEPTOR INHIBITORS Bristol-Myers Squibb Pharma Company (US) 2006-10-04 EP claimed
US-20050203146-A1 Amino-benzazoles as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-09-15 US claimed
WO-2005070920-A1 AMINO-BENZAZOLES AS P2Y1 RECEPTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-08-04 WO claimed
EP-1706398-B1 Amino-benzazoles as P2Y1 receptor inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-05-21 EP disclosed
US-20130078728-A1 Novel Isobaric Tandem Mass Tags for Quantitative Proteomics and Peptidomics NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-03-28 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-20050203146-A1 Amino-benzazoles as P2Y1 receptor inhibitors P2RY1, P2RY11, P2RY2 P2RY1 1/4885P2RY14 8/4885
US-20130078728-A1 Novel Isobaric Tandem Mass Tags for Quantitative Proteomics and Peptidomics SRMS, TMT1A, PTMS P2RY1 4301/4885P2RY14 3999/4885

“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.