SCHEMBL5034836

SCHEMBL5034836

CC(C)(C)c1ccccc1Oc1ncccc1Nc1nc2cc3c(cc2[nH]1)OCCO3

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 20/20 0.49

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
SCHEMBL5031467 0.94 P2RY1 (0.49) P2RY1
SCHEMBL5034817 0.86 P2RY1 (0.57) P2RY1
SCHEMBL5047168 0.85 P2RY1 (0.55) P2RY1
SCHEMBL5034799 0.85 HDAC11 (0.40) P2RY1
SCHEMBL5043590 0.85 P2RY1 (0.52) P2RY1
SCHEMBL5044574 0.85 P2RY1 (0.52) P2RY1
SCHEMBL5030660 0.84 P2RY1 (0.48) P2RY1
SCHEMBL1308272 0.83 NPC1 (0.56) P2RY1
SCHEMBL1307726 0.83 P2RY1 (0.52) P2RY1
SCHEMBL5048511 0.83 P2RY1 (0.52) P2RY1

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-20080275090-A1 AMINO-BENZAZOLES AS P2Y1 RECEPTOR INHIBITORS WITH PYRIDINE RING AND HETEROCYCLIC COMPONENTS BRISTOL-MYERS SQUIBB COMPANY 2008-11-06 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

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 1/4885
US-20080275090-A1 AMINO-BENZAZOLES AS P2Y1 RECEPTOR INHIBITORS WITH PYRIDINE RING AND HETEROCYCLIC COMPONENTS P2RY1, P2RY11, P2RY2 P2RY1 1/4885

“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.