SCHEMBL5028129

SCHEMBL5028129

COc1ccc(Nc2nc3cc(-n4ccnc4)cc(C)c3[nH]2)c(Oc2ccccc2C(C)(C)C)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
IGF1R P08069 3/20 0.33
P2RY1 P47900 12/20 0.33
NPSR1 Q6W5P4 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
CD38 P28907 1/20 0.31

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
SCHEMBL5028145 0.88 P2RY1 (0.44) P2RY1
SCHEMBL5043399 0.81 NPC1 (0.40) P2RY1NPSR1ALDH1A1NPC1LMNA
SCHEMBL5043645 0.78 NPC1 (0.37) P2RY1NPSR1NPC1LMNATP53
SCHEMBL5039260 0.77 LMNA (0.42) P2RY1NPSR1ALDH1A1HTTNPC1
SCHEMBL5043962 0.74 RAB9A (0.44) P2RY1NPSR1ALDH1A1HTTKMT2A
SCHEMBL5030524 0.74 NPC1 (0.37) P2RY1NPSR1NPC1LMNATP53
SCHEMBL5043650 0.74 NPC1 (0.40) P2RY1NPSR1ALDH1A1NPC1LMNA
SCHEMBL6481602 0.73 RAB9A (0.45) P2RY1NPSR1MEN1ALDH1A1GAA
SCHEMBL5039062 0.73 RAB9A (0.44) P2RY1NPSR1MEN1ALDH1A1GAA
SCHEMBL5039245 0.73 NPC1 (0.42) P2RY1NPSR1ALDH1A1NPC1LMNA

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-20080275090-A1 AMINO-BENZAZOLES AS P2Y1 RECEPTOR INHIBITORS WITH PYRIDINE RING AND HETEROCYCLIC COMPONENTS BRISTOL-MYERS SQUIBB COMPANY 2008-11-06 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 (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 MAOA 2574/4885MAOB 2126/4885IGF1R 1466/4885
US-20130078728-A1 Novel Isobaric Tandem Mass Tags for Quantitative Proteomics and Peptidomics SRMS, TMT1A, PTMS MAOA 3781/4885MAOB 3118/4885IGF1R 2720/4885
US-20080275090-A1 AMINO-BENZAZOLES AS P2Y1 RECEPTOR INHIBITORS WITH PYRIDINE RING AND HETEROCYCLIC COMPONENTS P2RY1, P2RY11, P2RY2 MAOA 2208/4885MAOB 1944/4885IGF1R 941/4885

“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.