SCHEMBL2887054

SCHEMBL2887054

O=C1c2ccc(Oc3ccccc3Cl)nc2OCCN1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.43
PRMT5 O14744 2/20 0.40
WDR77 Q9BQA1 2/20 0.40
MAPK1 P28482 2/20 0.39
TNIK Q9UKE5 3/20 0.39
ROCK2 O75116 4/20 0.37
ROCK1 Q13464 4/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
IDO1 P14902 1/20 0.35

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 0.87 GRM5 (0.46) GRM5PRMT5WDR77MAPK1TNIK
SCHEMBL2888645 0.85 GRM5 (0.43) GRM5PRMT5WDR77MAPK1TNIK
SCHEMBL2887253 0.83 EGLN1 (0.44) GRM5MAPK1TNIKROCK2ROCK1
SCHEMBL2891149 0.78 ROCK2 (0.44) GRM5PRMT5WDR77MAPK1TNIK
SCHEMBL13207964 0.78 PRMT5 (0.45) GRM5PRMT5WDR77MAPK1TNIK
SCHEMBL2888948 0.77 PTGER2 (0.42) GRM5IDO1
SCHEMBL2887263 0.72 PRMT5 (0.41) GRM5PRMT5WDR77MAPK1TNIK
SCHEMBL16488375 0.68 DDB1 (0.47) GRM5MAPK1L3MBTL1
SCHEMBL11985664 0.68 PRMT5 (0.49) PRMT5WDR77MAPK1TNIKROCK2
SCHEMBL2108681 0.66 ROCK2 (0.42) GRM5MAPK1TNIKROCK2ROCK1

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 GRM5 117/4885PRMT5 1000/4885WDR77 3631/4885

“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.