SCHEMBL1974462

SCHEMBL1974462

COc1ccccc1CNC(=O)C1CCCn2c1nc(-c1ccncn1)cc2=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
HPGD P15428 3/20 0.46
ALDH1A1 P00352 4/20 0.45
KMT2A Q03164 1/20 0.45
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP1A2 P05177 3/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
GSK3B P49841 4/20 0.42
CYP2D6 P10635 2/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL1834534 0.80 PDE2A (0.43) ALDH1A1CYP2C19CYP3A4CYP1A2TSHR
SCHEMBL1833103 0.79 GSK3B (0.45) CYP1A2GSK3BCYP2D6
SCHEMBL2065359 0.79 GSK3B (0.46) KMT2ACYP1A2TSHRGSK3BCYP2D6
SCHEMBL2066160 0.78 GSK3B (0.45) CYP1A2GSK3BCYP2D6
SCHEMBL3891480 0.77 GSK3B (0.46) GSK3BCYP2D6
SCHEMBL3403112 0.77 GSK3B (0.46) CYP1A2GSK3BCYP2D6
SCHEMBL2065434 0.77 GSK3B (0.45) KMT2ACYP1A2TSHRGSK3BCYP2D6
SCHEMBL2065233 0.75 TDP1 (0.46) KMT2ACYP1A2GSK3BCYP2D6
SCHEMBL2065685 0.75 GSK3B (0.45) CYP3A4CYP1A2GSK3BCYP2D6
SCHEMBL1836064 0.74 GSK3B (0.45) 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 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 MAPT 2666/4885HPGD 780/4885ALDH1A1 71/4885

“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.