SCHEMBL1977341

SCHEMBL1977341

COc1cc(Cl)ccc1C(=O)NCC1CCCn2c1nc(-c1ccncn1)cc2=O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.42
F10 P00742 4/20 0.39
BTK Q06187 1/20 0.38
GSK3B P49841 8/20 0.37
CNR2 P34972 1/20 0.37
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR4 Q13639 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 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
SCHEMBL1832420 0.98 DRD2 (0.40) DRD2F10BTKGSK3BCNR2
SCHEMBL2064592 0.87 F10 (0.44) F10GSK3B
SCHEMBL2065363 0.85 F10 (0.43) F10GSK3B
SCHEMBL2065400 0.84 F10 (0.43) F10GSK3B
SCHEMBL2065085 0.81 GSK3B (0.39) GSK3B
SCHEMBL2065310 0.81 DRD2 (0.43) DRD2GSK3B
SCHEMBL1834240 0.81 GSK3B (0.41) GSK3B
SCHEMBL1168730 0.80 GSK3B (0.44) F10GSK3B
SCHEMBL1834534 0.79 PDE2A (0.43) GSK3B
SCHEMBL3661589 0.79 F10 (0.40) F10BTKGSK3B

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-2321316-B1 SUBSTITUTED PYRIMIDIN-4-ONE DERIVATIVES MITSUBISHI TANABE PHARMA CORP (JP) 2014-03-12 EP disclosed
US-8614219-B2 Substituted pyrimidin-4-one derivatives SANOFI-AVENTIS (FR) 2013-12-24 US disclosed
US-20110144132-A1 SUBSTITUTED PYRIMIDIN-4-ONE DERIVATIVES SANOFI-AVENTIS (FR) 2011-06-16 US disclosed
EP-2138492-A1 Substituted pyrimidin-4-one derivatives Sanofi-Aventis (FR) 2009-12-30 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-20110144132-A1 SUBSTITUTED PYRIMIDIN-4-ONE DERIVATIVES TYMP, DHFR, DPYD DRD2 1719/4885F10 4178/4885BTK 348/4885

“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.