SCHEMBL1834534

SCHEMBL1834534

COc1cc(Cl)ccc1NC(=O)C1CCCn2c1nc(-c1ccncn1)cc2=O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.43
GSK3B P49841 12/20 0.41
LMNA P02545 2/20 0.39
USP2 O75604 2/20 0.39
TSHR P16473 1/20 0.38
CYP1A2 P05177 4/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYP2D6 P10635 3/20 0.37

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
SCHEMBL2064592 0.82 F10 (0.44) GSK3BCYP1A2CYP2D6
SCHEMBL2065310 0.80 DRD2 (0.43) GSK3BLMNACYP1A2CYP2D6
SCHEMBL1974462 0.80 MAPT (0.46) GSK3BLMNATSHRCYP1A2ALDH1A1
SCHEMBL2065363 0.80 F10 (0.43) GSK3BCYP1A2CYP2D6
SCHEMBL1977341 0.79 DRD2 (0.42) GSK3B
SCHEMBL2065085 0.79 GSK3B (0.39) GSK3BCYP1A2CYP2D6
SCHEMBL2065400 0.78 F10 (0.43) GSK3BCYP1A2CYP2D6
SCHEMBL2065813 0.78 KCNMA1 (0.42) GSK3BLMNACYP1A2ALDH1A1CYP2D6
SCHEMBL1832420 0.77 DRD2 (0.40) GSK3BCYP1A2CYP2D6
SCHEMBL3891480 0.77 GSK3B (0.46) GSK3BCYP2D6

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 5 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-2321316-A1 SUBSTITUTED PYRIMIDIN-4-ONE DERIVATIVES Mitsubishi Tanabe Pharma Corporation (JP) 2011-05-18 EP 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 PDE2A 482/4885GSK3B 3574/4885LMNA 4020/4885

“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.