SCHEMBL5043382

SCHEMBL5043382

CCOC(=O)c1ccc2nc(Nc3cccnc3Oc3ccccc3C(C)(C)C)[nH]c2c1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 17/20 0.57
PKN1 Q16512 1/20 0.46
PKN2 Q16513 1/20 0.46
P2RY14 Q15391 2/20 0.45
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL1306603 0.91 P2RY1 (0.49) P2RY1P2RY14
SCHEMBL1306959 0.89 P2RY1 (0.54) P2RY1P2RY14
SCHEMBL1309311 0.89 P2RY1 (0.49) P2RY1P2RY14
SCHEMBL5048343 0.87 ABCC4 (0.52) P2RY1ALDH1A1
SCHEMBL5402245 0.87 P2RY1 (0.42) P2RY1PKN1PKN2ALDH1A1SMN1; SMN2
SCHEMBL5046524 0.86 P2RY1 (0.54) P2RY1P2RY14
SCHEMBL1307667 0.86 P2RY1 (0.48) P2RY1P2RY14
SCHEMBL5043386 0.86 P2RY1 (0.46) P2RY1P2RY14
SCHEMBL5048518 0.85 HDAC6 (0.47) P2RY1SMN1; SMN2
SCHEMBL1307128 0.84 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 7 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

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-20050203146-A1 Amino-benzazoles as P2Y1 receptor inhibitors P2RY1, P2RY11, P2RY2 P2RY1 1/4885PKN1 892/4885PKN2 1074/4885

“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.