SCHEMBL5030671

SCHEMBL5030671

O=C(c1ccc2nc(Nc3cccnc3Oc3cccc(C(F)(F)F)c3)[nH]c2c1)c1cccs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.51
NPC1 O15118 1/20 0.51
GMNN O75496 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
TUBB4A P04350 1/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
TUBB P07437 1/20 0.51
TUBA3C P0DPH7 1/20 0.51
MAPT P10636 1/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 1/20 0.51
NFKB1 P19838 1/20 0.51
MAOA P21397 1/20 0.51
MAPK1 P28482 1/20 0.51
ADORA2A P29274 1/20 0.51
ADORA1 P30542 1/20 0.51
THPO P40225 1/20 0.51
HTR2B P41595 1/20 0.51

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
SCHEMBL5044032 0.86 P2RY1 (0.61) ALDH1A1LMNAHTTP2RY1RAF1
SCHEMBL5048688 0.81 P2RY1 (0.55) P2RY1RAF1BRAFCSNK1A1CSNK1D
SCHEMBL1307144 0.80 P2RY1 (0.55) P2RY1RAF1BRAFCSNK1A1CSNK1D
SCHEMBL5046532 0.80 P2RY1 (0.55) P2RY1RAF1BRAFCSNK1A1CSNK1D
SCHEMBL5043417 0.80 P2RY1 (0.52) P2RY1PDE10A
SCHEMBL5039192 0.79 CSNK1D (0.64) P2RY1RAF1BRAFCSNK1A1CSNK1D
SCHEMBL5043951 0.79 P2RY1 (0.54) CYP1A2NPSR1P2RY1CSNK1A1CSNK1D
SCHEMBL5043310 0.79 P2RY1 (0.51) P2RY1PDE10A
SCHEMBL5046604 0.78 P2RY1 (0.54) P2RY1RAF1BRAFCSNK1A1CSNK1D
SCHEMBL5043220 0.78 P2RY1 (0.51) P2RY1RAF1BRAF

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-20080275090-A1 AMINO-BENZAZOLES AS P2Y1 RECEPTOR INHIBITORS WITH PYRIDINE RING AND HETEROCYCLIC COMPONENTS BRISTOL-MYERS SQUIBB COMPANY 2008-11-06 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 (3 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 ABL1 270/4885NPC1 2726/4885GMNN 3153/4885
US-20130078728-A1 Novel Isobaric Tandem Mass Tags for Quantitative Proteomics and Peptidomics SRMS, TMT1A, PTMS ABL1 1449/4885NPC1 4718/4885GMNN 4212/4885
US-20080275090-A1 AMINO-BENZAZOLES AS P2Y1 RECEPTOR INHIBITORS WITH PYRIDINE RING AND HETEROCYCLIC COMPONENTS P2RY1, P2RY11, P2RY2 ABL1 244/4885NPC1 3594/4885GMNN 3111/4885

“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.