SCHEMBL2019542

SCHEMBL2019542

OCc1cc(NC2CCOCC2)nc(Cl)n1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 7/20 0.41
MAPK1 P28482 8/20 0.41
MAPK3 P27361 2/20 0.39
RPS6KA1 Q15418 4/20 0.37
CCNE1 P24864 3/20 0.37
CDK2 P24941 3/20 0.37
PIM1 P11309 2/20 0.37
PIK3CA P42336 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
SCHEMBL31127119 0.81 IDH1 (0.42) CCNT1
SCHEMBL19687379 0.81 IDH1 (0.42) CCNT1
SCHEMBL12574434 0.78 MAPK1 (0.47) CCNT1MAPK1MAPK3PIM1PIK3CA
SCHEMBL2024072 0.73 MAPK1 (0.41) CCNT1MAPK1MAPK3RPS6KA1CCNE1
SCHEMBL11654167 0.72 NUDT1 (0.44)
SCHEMBL12574433 0.72 PDE10A (0.52) MAPK1MAPK3
SCHEMBL19462069 0.70 MAPK1 (0.49) CCNT1MAPK1CDK2PIM1
SCHEMBL3199851 0.69 OPRK1 (0.51) CCNT1MAPK1PIM1PIK3CA
SCHEMBL4197114 0.69 PLK4 (0.44)
SCHEMBL15229185 0.68 MEN1 (0.71) CCNT1MAPK1MAPK3CCNE1CDK2

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-2350027-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS Mitsubishi Tanabe Pharma Corporation (JP) 2011-08-03 EP disclosed
US-20110160206-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-06-30 US disclosed
US-20110160206-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-06-30 US disclosed
US-20110160206-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-06-30 US disclosed
WO-2010027097-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-03-11 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-20110160206-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS PDE10A, PDE12, PDE9A CCNT1 738/4885MAPK1 985/4885MAPK3 1907/4885

“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.