SCHEMBL5039006

SCHEMBL5039006

Cc1ccc2nc(Nc3cccnc3Oc3cccc(C(F)(F)F)c3)[nH]c2c1C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 17/20 0.49
CSNK1A1 P48729 1/20 0.41
CSNK1D P48730 1/20 0.41
GSK3B P49841 1/20 0.41
CSNK1G2 P78368 1/20 0.41
PDE10A Q9Y233 1/20 0.41
DYRK1A Q13627 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL5048707 0.91 P2RY1 (0.51) P2RY1KDM4EMEN1CYP1A2CYP2C19
SCHEMBL5046788 0.85 P2RY1 (0.49) P2RY1
SCHEMBL5043220 0.85 P2RY1 (0.51) P2RY1DYRK1ADYRK1B
SCHEMBL5048688 0.84 P2RY1 (0.55) P2RY1CSNK1A1CSNK1DGSK3BCSNK1G2
SCHEMBL5048557 0.82 P2RY1 (0.49) P2RY1DYRK1ADYRK1B
SCHEMBL5043310 0.82 P2RY1 (0.51) P2RY1PDE10ADYRK1ADYRK1B
SCHEMBL5028141 0.81 P2RY1 (0.44) P2RY1DYRK1ADYRK1BKDM4EMEN1
SCHEMBL1307144 0.81 P2RY1 (0.55) P2RY1CSNK1A1CSNK1DGSK3BCSNK1G2
SCHEMBL5046532 0.81 P2RY1 (0.55) P2RY1CSNK1A1CSNK1DGSK3BCSNK1G2
SCHEMBL5043417 0.81 P2RY1 (0.52) P2RY1PDE10ADYRK1ADYRK1B

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
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
US-20050203146-A1 Amino-benzazoles as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-09-15 US 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 1/4885CSNK1A1 1196/4885CSNK1D 1817/4885
US-20130078728-A1 Novel Isobaric Tandem Mass Tags for Quantitative Proteomics and Peptidomics SRMS, TMT1A, PTMS P2RY1 4301/4885CSNK1A1 1311/4885CSNK1D 1288/4885

“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.