SCHEMBL3521025

SCHEMBL3521025

Cn1c(OCc2ccccc2)ncc(C#N)c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.49
PKM P14618 2/20 0.49
MAOA P21397 1/20 0.49
GRM2 Q14416 1/20 0.45
CYP1A2 P05177 5/20 0.45
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 3/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
CYP2D6 P10635 1/20 0.44
FPR1 P21462 1/20 0.44
ALDH1A1 P00352 4/20 0.44
TSHR P16473 3/20 0.44
CLK4 Q9HAZ1 1/20 0.44
CYP3A4 P08684 2/20 0.44
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
HSD17B10 Q99714 1/20 0.43
XDH P47989 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL5027005 0.85 BRD4 (0.46) MAOBPKMMAOAGRM2CYP1A2
SCHEMBL4477507 0.81 MAOB (0.49) MAOBPKMMAOAGRM2CYP2C9
SCHEMBL3525163 0.78 PKM (0.50) MAOBPKMMAOACYP1A2CYP2C9
SCHEMBL3520905 0.74 CCNB2 (0.51) MAOBPKMMAOACYP1A2CYP2C9
SCHEMBL3463088 0.71 MAOB (0.50) MAOBXDH
SCHEMBL14505636 0.70 PKM (0.58) MAOBPKMMAOACYP1A2CYP2C9
SCHEMBL11837334 0.70 KDM4E (0.46) CYP2C9CYP2C19KDM4EGAACYP2D6
SCHEMBL11628099 0.70 PDE5A (0.46) XDHSMN1; SMN2LMNA
SCHEMBL9144089 0.69 RHEB (0.50) MAOBPKMMAOACYP1A2CYP2C9
SCHEMBL6765408 0.68 PKM (0.49) MAOBPKMMAOACYP1A2CYP2C9

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
US-7795271-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2010-09-14 US disclosed
US-20090306108-A1 SUBSTITUTED PYRIMIDINONES PFIZER INC 2009-12-10 US disclosed
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES PHARMACIA CORPORATION (US) 2007-07-19 US disclosed
CN-1968937-A Pyrimidin-4-one derivatives and their use as P38 kinase modulators PHARMACIA CORP (US) 2007-05-23 CN disclosed
US-7183287-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2007-02-27 US disclosed
US-20040242608-A1 Substituted pyrimidinones PHARMACIA LLC 2004-12-02 US 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 (3 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-20090306108-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MAOB 1718/4885PKM 994/4885MAOA 2387/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 MAOB 1814/4885PKM 1090/4885MAOA 2498/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MAOB 1718/4885PKM 994/4885MAOA 2387/4885

“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.