SCHEMBL1306526

SCHEMBL1306526

COC(=O)c1ccc(N)c(Oc2ccccc2C(C)(C)C)n1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 15/20 0.43
P2RY14 Q15391 2/20 0.40
ALDH1A1 P00352 3/20 0.38
CFTR P13569 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL1307807 0.87 P2RY1 (0.42) P2RY1P2RY14ALDH1A1KDM4EGAA
SCHEMBL1308056 0.77 ALDH1A1 (0.37) P2RY1ALDH1A1HSD17B10GAA
SCHEMBL24654123 0.76 P2RY1 (0.46) P2RY1P2RY14
SCHEMBL1308210 0.76 P2RY1 (0.38) P2RY1P2RY14ALDH1A1KDM4EGAA
SCHEMBL4651223 0.76 MAPK1 (0.43) ALDH1A1CFTRHSD17B10KDM4EGAA
SCHEMBL31512136 0.76 MAPK1 (0.43) ALDH1A1CFTRHSD17B10KDM4EGAA
SCHEMBL3150988 0.76 P2RY1 (0.68) P2RY1P2RY14
SCHEMBL1309128 0.75 P2RY1 (0.36) P2RY1P2RY14
SCHEMBL1307565 0.75 P2RY1 (0.38) P2RY1P2RY14
SCHEMBL3158739 0.75 P2RY1 (0.60) 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 disclosed
US-8053450-B2 P2Y1 Purinoreceptor; thromboembolic disorders; compounds are 2-((hetero)arylamino) benzimidazoles, benzoxazoles or benzothiazoles such as [2-(2-tert-butyl-phenoxy)-pyridin-3-yl]-(6-methyl-1H-benzoimidazol-2-yl)-amine BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-08 US disclosed
US-8053450-B2 P2Y1 Purinoreceptor; thromboembolic disorders; compounds are 2-((hetero)arylamino) benzimidazoles, benzoxazoles or benzothiazoles such as [2-(2-tert-butyl-phenoxy)-pyridin-3-yl]-(6-methyl-1H-benzoimidazol-2-yl)-amine BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-08 US disclosed
US-7470712-B2 Amino-benzazoles as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US disclosed
US-7470712-B2 Amino-benzazoles as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US disclosed
US-20080275090-A1 AMINO-BENZAZOLES AS P2Y1 RECEPTOR INHIBITORS WITH PYRIDINE RING AND HETEROCYCLIC COMPONENTS BRISTOL-MYERS SQUIBB COMPANY 2008-11-06 US disclosed
US-20080275090-A1 AMINO-BENZAZOLES AS P2Y1 RECEPTOR INHIBITORS WITH PYRIDINE RING AND HETEROCYCLIC COMPONENTS BRISTOL-MYERS SQUIBB COMPANY 2008-11-06 US disclosed
US-20050203146-A1 Amino-benzazoles as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-09-15 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 8/4885ALDH1A1 1996/4885
US-20080275090-A1 AMINO-BENZAZOLES AS P2Y1 RECEPTOR INHIBITORS WITH PYRIDINE RING AND HETEROCYCLIC COMPONENTS P2RY1, P2RY11, P2RY2 P2RY1 1/4885P2RY14 10/4885ALDH1A1 1823/4885

“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.