SCHEMBL4506945

SCHEMBL4506945

COc1ccc(Cn2c(C)cc(OCc3ccccc3C#N)cc2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.47
FFAR1 O14842 1/20 0.46
NPBWR1 P48145 1/20 0.45
MAPK14 Q16539 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
BACE1 P56817 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX5AP P20292 1/20 0.41
P2RX4 Q99571 1/20 0.40
GRIN1 Q05586 2/20 0.40
GRIN2B Q13224 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
GRM5 P41594 1/20 0.40

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
SCHEMBL4521334 0.91 MAOB (0.47) MAOBFFAR1MAPK14KDM4EALDH1A1
SCHEMBL4518177 0.87 GRIN1 (0.48) MAOBFFAR1NPBWR1MAPK14RXFP1
SCHEMBL4512362 0.84 KDM4E (0.44) MAOBMAPK14KDM4EALDH1A1MAPT
SCHEMBL4512896 0.84 MAPK14 (0.52) MAOBFFAR1NPBWR1MAPK14RXFP1
SCHEMBL4511623 0.82 MAPK14 (0.64) MAOBNPBWR1MAPK14RXFP1BACE1
SCHEMBL4512677 0.80 CASP3 (0.52) KDM4EMEN1RAB9AKMT2AGRM5
SCHEMBL24644861 0.79 MAPT (0.48) KDM4EALDH1A1MAPTALOX15P2RX4
SCHEMBL4378569 0.77 MAPK14 (0.53) MAOBMAPK14KDM4EALDH1A1MAPT
SCHEMBL13678551 0.74 SMN1; SMN2 (0.44) MAPK14KDM4EALDH1A1MAPTMEN1
SCHEMBL4376107 0.74 MAPK14 (0.57) MAPK14ALDH1A1MAPTMEN1NPC1

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
US-20090270350-A1 Pyridinone Pyrazole Urea and Pyrimidinone Pyrazole Urea Derivatives PFIZER INC. 2009-10-29 US disclosed
US-20090270350-A1 Pyridinone Pyrazole Urea and Pyrimidinone Pyrazole Urea Derivatives PFIZER INC. 2009-10-29 US disclosed
US-20090270350-A1 Pyridinone Pyrazole Urea and Pyrimidinone Pyrazole Urea Derivatives PFIZER INC. 2009-10-29 US disclosed
WO-2007091176-A1 PYRIDINONE PYRAZOLE UREA AND PYRIMIDINONE PYRAZOLE UREA DERIVATIVES PFIZER PRODUCTS INC. (US) 2007-08-16 WO 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-20090270350-A1 Pyridinone Pyrazole Urea and Pyrimidinone Pyrazole Urea Derivatives PDXK, UMPS, CDK2 MAOB 81/4885FFAR1 2216/4885NPBWR1 2132/4885

“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.