SCHEMBL5044571

SCHEMBL5044571

CC(C)(C)c1ccccc1Oc1ncccc1Nc1nc2cccc(C(=O)NCc3ccccc3)c2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
P2RY1 P47900 12/20 0.47
MAPK8 P45983 1/20 0.46
NSD2 O96028 1/20 0.45

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
SCHEMBL5039226 0.93 P2RY1 (0.50) MEN1KMT2AP2RY1
SCHEMBL5038980 0.90 P2RY1 (0.47) P2RY1
SCHEMBL5043925 0.88 P2RY1 (0.55) P2RY1
SCHEMBL5044712 0.86 P2RY1 (0.48) P2RY1
SCHEMBL5043685 0.86 P2RY1 (0.50) P2RY1
SCHEMBL5039607 0.86 P2RY1 (0.54) P2RY1
SCHEMBL5048518 0.83 HDAC6 (0.47) MEN1KMT2AP2RY1
SCHEMBL5048578 0.83 P2RY1 (0.48) P2RY1
SCHEMBL5034866 0.83 P2RY1 (0.54) P2RY1
SCHEMBL5044538 0.82 P2RY1 (0.48) 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 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 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
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 MEN1 2514/4885KMT2A 3986/4885KDM4E 3888/4885
US-20130078728-A1 Novel Isobaric Tandem Mass Tags for Quantitative Proteomics and Peptidomics SRMS, TMT1A, PTMS MEN1 3184/4885KMT2A 1324/4885KDM4E 2768/4885

“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.