SCHEMBL5044032

SCHEMBL5044032

COC(=O)c1ccc2nc(Nc3cccnc3Oc3cccc(C(F)(F)F)c3)[nH]c2c1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 16/20 0.61
RAF1 P04049 1/20 0.50
BRAF P15056 1/20 0.50
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CHEK2 O96017 1/20 0.47

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
SCHEMBL5046532 0.87 P2RY1 (0.55) P2RY1RAF1BRAF
SCHEMBL5030671 0.86 ABL1 (0.51) P2RY1RAF1BRAFALDH1A1LMNA
SCHEMBL5048688 0.86 P2RY1 (0.55) P2RY1RAF1BRAF
SCHEMBL1307144 0.85 P2RY1 (0.55) P2RY1RAF1BRAF
SCHEMBL5043220 0.83 P2RY1 (0.51) P2RY1RAF1BRAF
SCHEMBL5043417 0.83 P2RY1 (0.52) P2RY1
SCHEMBL5039192 0.82 CSNK1D (0.64) P2RY1RAF1BRAF
SCHEMBL5043951 0.82 P2RY1 (0.54) P2RY1KDM4E
SCHEMBL5043310 0.82 P2RY1 (0.51) P2RY1
SCHEMBL5046604 0.81 P2RY1 (0.54) P2RY1RAF1BRAF

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 1/4885RAF1 1696/4885BRAF 2474/4885
US-20130078728-A1 Novel Isobaric Tandem Mass Tags for Quantitative Proteomics and Peptidomics SRMS, TMT1A, PTMS P2RY1 4301/4885RAF1 1785/4885BRAF 1742/4885

“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.