SCHEMBL2887253

SCHEMBL2887253

O=C1c2ccc(Oc3cccc(Cl)c3)nc2OCCN1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.44
ROCK2 O75116 7/20 0.43
ROCK1 Q13464 5/20 0.43
TNIK Q9UKE5 7/20 0.41
GRM5 P41594 1/20 0.41
NAAA Q02083 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL2888874 0.91 GRM5 (0.46) ROCK2ROCK1TNIKGRM5MAPK1
SCHEMBL2888645 0.89 GRM5 (0.43) EGLN1ROCK2ROCK1TNIKGRM5
SCHEMBL2887054 0.83 GRM5 (0.43) ROCK2ROCK1TNIKGRM5MAPK1
SCHEMBL2887318 0.78 KDM4E (0.44)
SCHEMBL2891149 0.75 ROCK2 (0.44) ROCK2ROCK1TNIKGRM5MAPK1
SCHEMBL13207964 0.75 PRMT5 (0.45) ROCK2ROCK1TNIKGRM5MAPK1
SCHEMBL2887263 0.70 PRMT5 (0.41) ROCK2ROCK1TNIKGRM5MAPK1
SCHEMBL2889094 0.67 KDM4E (0.44) GRM5
SCHEMBL16488375 0.66 DDB1 (0.47) GRM5MAPK1
SCHEMBL2891460 0.66 OPRM1 (0.42)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2213675-B1 PYRIDOOXAZEPINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2013-08-14 EP disclosed
US-8329687-B2 Pyridooxazepine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-11 US disclosed
US-20100286120-A1 PYRIDOOXAZEPINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-11 US disclosed
EP-2213675-A1 PYRIDOOXAZEPINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-08-04 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-20100286120-A1 PYRIDOOXAZEPINE DERIVATIVE AND USE THEREOF HTR2C, HTR2A, TPH2 EGLN1 1398/4885ROCK2 1177/4885ROCK1 2193/4885

“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.