SCHEMBL5044545

SCHEMBL5044545

FC(F)(F)c1cccc(Oc2ncccc2Nc2nc3c(C(F)(F)F)cc(C(F)(F)F)cc3[nH]2)c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 17/20 0.49
DYRK1A Q13627 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
CSNK1A1 P48729 1/20 0.42
CSNK1D P48730 1/20 0.42
GSK3B P49841 1/20 0.42
CSNK1G2 P78368 1/20 0.42
PDE10A Q9Y233 1/20 0.42

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
SCHEMBL5133719 0.89 P2RY1 (0.48) P2RY1DYRK1ADYRK1B
SCHEMBL5046837 0.89 P2RY1 (0.52) P2RY1DYRK1ADYRK1B
SCHEMBL5044547 0.87 P2RY1 (0.55) P2RY1
SCHEMBL5043310 0.84 P2RY1 (0.51) P2RY1DYRK1ADYRK1BPDE10A
SCHEMBL5043417 0.83 P2RY1 (0.52) P2RY1DYRK1ADYRK1BPDE10A
SCHEMBL5043951 0.82 P2RY1 (0.54) P2RY1DYRK1ADYRK1BCSNK1A1CSNK1D
SCHEMBL1307144 0.82 P2RY1 (0.55) P2RY1DYRK1ADYRK1BCSNK1A1CSNK1D
SCHEMBL5048577 0.82 P2RY1 (0.47) P2RY1
SCHEMBL5043220 0.82 P2RY1 (0.51) P2RY1DYRK1ADYRK1B
SCHEMBL5046604 0.82 P2RY1 (0.54) P2RY1DYRK1ADYRK1BCSNK1A1CSNK1D

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 4 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

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 1/4885DYRK1A 819/4885DYRK1B 741/4885

“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.