SCHEMBL5436637

SCHEMBL5436637

COc1ccc(Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)c(Oc2ccccc2C(C)(C)C)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 2/20 0.43
CSNK1G2 P78368 2/20 0.43
RIPK1 Q13546 3/20 0.42
MAPT P10636 6/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
LMNA P02545 3/20 0.40
TP53 P04637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RECQL P46063 1/20 0.40
DUSP3 P51452 1/20 0.40
PTPN5 P54829 1/20 0.40
PTPN11 Q06124 1/20 0.40
KMT2A Q03164 7/20 0.38
MEN1 O00255 6/20 0.38
IRAK4 Q9NWZ3 3/20 0.36
DYRK3 O43781 1/20 0.36
ABL1 P00519 1/20 0.36
CDK1 P06493 1/20 0.36
CSF1R P07333 1/20 0.36

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
SCHEMBL5039062 0.86 RAB9A (0.44) MAPTNPC1RAB9ALMNATP53
SCHEMBL5048567 0.86 NPC1 (0.44) CSNK1DCSNK1G2MAPTNPC1RAB9A
SCHEMBL5048341 0.85 NPC1 (0.43) MAPTNPC1RAB9ALMNATP53
SCHEMBL5039007 0.83 NPC1 (0.42) CSNK1DCSNK1G2MAPTNPC1RAB9A
SCHEMBL5039260 0.83 LMNA (0.42) CSNK1DCSNK1G2MAPTNPC1RAB9A
SCHEMBL5039245 0.82 NPC1 (0.42) CSNK1DCSNK1G2MAPTNPC1RAB9A
SCHEMBL5047148 0.82 NPC1 (0.42) CSNK1DCSNK1G2MAPTNPC1RAB9A
SCHEMBL6482641 0.82 RAB9A (0.36) MAPTNPC1RAB9ALMNATP53
SCHEMBL5044561 0.81 POLB (0.44) MAPTNPC1RAB9ARECQLDUSP3
SCHEMBL6481602 0.80 RAB9A (0.45) CSNK1DCSNK1G2MAPTNPC1RAB9A

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 6 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
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

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 1516/4885RIPK1 2548/4885

“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.