SCHEMBL1307522

SCHEMBL1307522

Nc1cccnc1Oc1cccc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 16/20 0.54
MAPT P10636 1/20 0.52
ADORA2A P29274 1/20 0.51
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL1424825 0.85 P2RY1 (0.50) P2RY1MAPTCYP2C19
SCHEMBL15170108 0.83 MAPT (0.48) P2RY1MAPTADORA2AKDM4EMEN1
SCHEMBL22719499 0.82 P2RY1 (0.57) P2RY1KDM4EMEN1CYP1A2CYP2C19
SCHEMBL6560226 0.82 P2RY1 (0.57) P2RY1KDM4EMEN1CYP1A2CYP2C19
SCHEMBL14000876 0.80 P2RY1 (0.55) P2RY1KDM4EMEN1CYP1A2CYP2C19
SCHEMBL28086813 0.80 MAPT (0.50) P2RY1MAPTADORA2AKDM4EMEN1
SCHEMBL10969027 0.80 KDM4E (0.62) P2RY1KDM4EMEN1CYP1A2CYP2C19
SCHEMBL28664836 0.79 P2RY1 (0.63) P2RY1KDM4EMEN1CYP1A2CYP2C19
SCHEMBL29991644 0.78 MEN1 (0.63) P2RY1KDM4EMEN1CYP1A2CYP2C19
SCHEMBL30166677 0.78 MEN1 (0.63) P2RY1KDM4EMEN1CYP1A2CYP2C19

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 13 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-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-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-20080275090-A1 AMINO-BENZAZOLES AS P2Y1 RECEPTOR INHIBITORS WITH PYRIDINE RING AND HETEROCYCLIC COMPONENTS BRISTOL-MYERS SQUIBB COMPANY 2008-11-06 US disclosed
EP-1706398-A1 AMINO-BENZAZOLES AS P2Y1 RECEPTOR INHIBITORS Bristol-Myers Squibb Pharma Company (US) 2006-10-04 EP disclosed
US-20050203146-A1 Amino-benzazoles as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-09-15 US disclosed
WO-2005070920-A1 AMINO-BENZAZOLES AS P2Y1 RECEPTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-08-04 WO 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 1/4885MAPT 4134/4885ADORA2A 31/4885
US-20080275090-A1 AMINO-BENZAZOLES AS P2Y1 RECEPTOR INHIBITORS WITH PYRIDINE RING AND HETEROCYCLIC COMPONENTS P2RY1, P2RY11, P2RY2 P2RY1 1/4885MAPT 4033/4885ADORA2A 28/4885

“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.