SCHEMBL5039014

SCHEMBL5039014

COc1ccc(Nc2nc3ccc(C#N)cc3[nH]2)c(Oc2ccccc2C(C)(C)C)n1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 10/20 0.54
CSNK1G2 P78368 8/20 0.52
CSNK1A1 P48729 8/20 0.49
GSK3B P49841 7/20 0.49
PDE10A Q9Y233 1/20 0.46
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CFB P00751 6/20 0.40
P2RY1 P47900 1/20 0.40
CHEK2 O96017 1/20 0.38

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
SCHEMBL5043962 0.90 RAB9A (0.44) CSNK1DCSNK1G2CSNK1A1GSK3BNPC1
SCHEMBL1306719 0.88 CSNK1D (0.47) CSNK1DCSNK1G2CSNK1A1GSK3BPDE10A
SCHEMBL6481602 0.88 RAB9A (0.45) CSNK1DCSNK1G2CSNK1A1NPC1LMNA
SCHEMBL5048366 0.85 CSNK1D (0.58) CSNK1DCSNK1G2CSNK1A1GSK3BPDE10A
SCHEMBL5039260 0.85 LMNA (0.42) CSNK1DCSNK1G2NPC1LMNATP53
SCHEMBL5039245 0.84 NPC1 (0.42) CSNK1DCSNK1G2NPC1LMNATP53
SCHEMBL5047148 0.84 NPC1 (0.42) CSNK1DCSNK1G2NPC1LMNATP53
SCHEMBL5044762 0.84 LMNA (0.43) NPC1LMNATP53MAPTRAB9A
SCHEMBL5410922 0.82 ABL1 (0.52) NPC1LMNATP53MAPTRAB9A
SCHEMBL5039062 0.82 RAB9A (0.44) PDE10ANPC1LMNATP53MAPT

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
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

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 CSNK1D 1817/4885CSNK1G2 1516/4885CSNK1A1 1196/4885

“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.