SCHEMBL101767

SCHEMBL101767

Cn1c(Cl)nc(-c2ccncn2)cc1=O

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.60
CYP2D6 P10635 2/20 0.51
CYP1A2 P05177 1/20 0.51

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
SCHEMBL173216 0.83 GSK3B (0.61) GSK3BCYP2D6
SCHEMBL9944038 0.82 GSK3B (0.60) GSK3BCYP2D6
SCHEMBL137966 0.82 GSK3B (0.60) GSK3BCYP2D6
SCHEMBL9906429 0.82 GSK3B (0.60) GSK3BCYP2D6
SCHEMBL497227 0.80 GSK3B (0.52) GSK3B
SCHEMBL12207252 0.79 GSK3B (0.57) GSK3BCYP2D6CYP1A2
SCHEMBL3139329 0.79 GSK3B (0.57) GSK3BCYP2D6CYP1A2
SCHEMBL15135440 0.79 GSK3B (0.54) GSK3BCYP2D6CYP1A2
SCHEMBL3135002 0.78 GSK3B (0.56) GSK3BCYP2D6CYP1A2
SCHEMBL13046399 0.78 GSK3B (0.56) 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 118 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9108957-B2 3-[1,4]oxazepane-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-08-18 US disclosed
US-9108957-B2 3-[1,4]oxazepane-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-08-18 US disclosed
US-9108957-B2 3-[1,4]oxazepane-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-08-18 US disclosed
US-9006232-B2 Pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-04-14 US disclosed
US-9006232-B2 Pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-04-14 US disclosed
US-9006232-B2 Pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-04-14 US disclosed
EP-1572681-B1 3-SUBSTITUTED-4-PYRIMIDONE DERIVATIVES MITSUBISHI TANABE PHARMA CORP (JP) 2014-01-22 EP disclosed
US-8569294-B2 2-(cyclic amino)-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-10-29 US disclosed
US-8518939-B2 6-pyrimidinyl-pyrimid-4-one derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-27 US disclosed
US-8518939-B2 6-pyrimidinyl-pyrimid-4-one derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-27 US disclosed
EP-1608630-A1 2, 3, 6-TRISUBSTITUTED-4-PYRIMIDONE DERIVATIVES Mitsubishi Pharma Corporation (JP) 2005-12-28 EP disclosed
EP-1427709-B1 3-SUBSTITUTED-4-PYRIMIDONE DERIVATIVES MITSUBISHI PHARMA CORP (JP) 2005-12-14 EP disclosed
EP-1603910-A1 SUBSTITUTED 2-(DIAZA-BICYCLO-ALKYL)-PYRIMIDONE DERIVATIVES Sanofi-Aventis (FR) 2005-12-14 EP disclosed
US-20050130967-A1 3-Substituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2005-06-16 US disclosed
CN-1555367-A 3-substituted-4-pyrimidone derivatives ������ҩ��ʽ���� 2004-12-15 CN disclosed
WO-2004085408-A1 2, 3, 6-TRISUBSTITUTED-4-PYRIMIDONE DERIVATIVES MITSUBISHI PHARMA CORPORATION (JP) 2004-10-07 WO disclosed
WO-2004078759-A1 SUBSTITUTED 2-(DIAZA-BICYCLO-ALKYL)-PYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2004-09-16 WO disclosed
EP-1454910-A1 Substituted pyrimidinyl-2-(diaza-bicyclo-alkyl)-pyrimidone derivatives SANOFI-SYNTHELABO (FR) 2004-09-08 EP disclosed
EP-1427709-A1 3-SUBSTITUTED-4-PYRIMIDONE DERIVATIVES Mitsubishi Pharma Corporation (JP) 2004-06-16 EP disclosed
WO-2003027080-A1 3-SUBSTITUTED-4-PYRIMIDONE DERIVATIVES MITSUBISHI PHARMA CORPORATION (JP) 2003-04-03 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 (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-20050130967-A1 3-Substituted-4-pyrimidone derivatives TTBK1, CDK1, MAPT GSK3B 172/4885CYP2D6 2047/4885CYP1A2 2399/4885

“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.