SCHEMBL1833018

SCHEMBL1833018

O=c1cc(-c2ccncn2)nc2n1CCCCC2

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 16/20 0.48
GRM5 P41594 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP2D6 P10635 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL1830258 0.99 GSK3B (0.49) GSK3BGRM5CYP2D6
SCHEMBL1831168 0.82 ALDH1A1 (0.51) GSK3BGRM5MEN1KMT2AHDAC6
SCHEMBL927260 0.82 GSK3B (0.47) GSK3BCYP2D6
SCHEMBL3568709 0.76 GSK3B (0.48) GSK3BALDH1A1POLB
SCHEMBL1834667 0.76 GSK3B (0.51) GSK3BCYP2D6
SCHEMBL2065123 0.75 GSK3B (0.47) GSK3BCYP2D6
SCHEMBL1832336 0.75 GSK3B (0.47) GSK3BCYP2D6
SCHEMBL1833143 0.74 GSK3B (0.46) GSK3BCYP2D6
SCHEMBL1834981 0.74 GSK3B (0.46) GSK3BCYP2D6
SCHEMBL915365 0.74 GSK3B (0.46) GSK3BMEN1KMT2AALDH1A1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2321315-B1 SUBSTITUTED ALKYL PYRIMIDIN-4-ONE DERIVATIVES MITSUBISHI TANABE PHARMA CORP (JP) 2015-06-03 EP disclosed
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-8198287-B2 Substituted heteroaryl pyridopyrimidone derivatives SANOFI-AVENTIS (FR) 2012-06-12 US disclosed
US-20110144132-A1 SUBSTITUTED PYRIMIDIN-4-ONE DERIVATIVES SANOFI-AVENTIS (FR) 2011-06-16 US disclosed
US-20110144092-A1 SUBSTITUTED ALKYL 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-2321315-A2 SUBSTITUTED ALKYL PYRIMIDIN-4-ONE DERIVATIVES Mitsubishi Tanabe Pharma Corporation (JP) 2011-05-18 EP disclosed
EP-2138494-A1 Substituted alkyl pyrimidin-4-one derivatives Sanofi-Aventis (FR) 2009-12-30 EP disclosed
EP-2138492-A1 Substituted pyrimidin-4-one derivatives Sanofi-Aventis (FR) 2009-12-30 EP disclosed
WO-2009156864-A2 SUBSTITUTED ALKYL PYRIMIDIN-4-ONE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-12-30 WO disclosed
WO-2009156865-A1 SUBSTITUTED PYRIMIDIN-4-ONE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-12-30 WO disclosed
US-20090306088-A1 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2009-12-10 US disclosed
EP-2121635-A2 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES Sanofi-Aventis (FR) 2009-11-25 EP disclosed
WO-2008078196-A2 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-07-03 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 (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-20090306088-A1 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES GSK3B, GSK3A, GSKIP GSK3B 1/4885GRM5 1114/4885MEN1 3328/4885
US-20110144132-A1 SUBSTITUTED PYRIMIDIN-4-ONE DERIVATIVES TYMP, DHFR, DPYD GSK3B 3574/4885GRM5 3230/4885MEN1 1510/4885
US-20110144092-A1 SUBSTITUTED ALKYL PYRIMIDIN-4-ONE DERIVATIVES DPYD, TYMP, DHFR GSK3B 3837/4885GRM5 2682/4885MEN1 1690/4885

“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.