SCHEMBL2019148

SCHEMBL2019148

CCOC(=O)c1nc2ccc(C(F)(F)F)cc2nc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLP1R P43220 1/20 0.46
MAPT P10636 3/20 0.46
MAOB P27338 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PDE5A O76074 2/20 0.43
PDE6D O43924 1/20 0.43
PDE6A P16499 1/20 0.43
PDE6G P18545 1/20 0.43
PDE6B P35913 1/20 0.43
PDE6C P51160 1/20 0.43
PDE6H Q13956 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HSP90AA1 P07900 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43

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
SCHEMBL2019662 1.00 GLP1R (0.46) GLP1RMAPTMAOBMRGPRX4KDM4E
SCHEMBL2022107 0.87 MAPT (0.47) MAPTMAOBKDM4EALDH1A1HPGD
SCHEMBL2021606 0.87 MAPT (0.47) MAPTMAOBKDM4EALDH1A1HPGD
SCHEMBL2022097 0.86 MAPT (0.49) GLP1RMAPTMAOBKDM4EALDH1A1
SCHEMBL2019965 0.86 MAPT (0.49) GLP1RMAPTMAOBKDM4EALDH1A1
SCHEMBL31345645 0.83 TSHR (0.53) GLP1RMAPTKDM4EALDH1A1HPGD
SCHEMBL2021091 0.83 TSHR (0.53) GLP1RMAPTKDM4EALDH1A1HPGD
SCHEMBL31345627 0.83 TSHR (0.53) GLP1RMAPTKDM4EALDH1A1HPGD
SCHEMBL2021734 0.83 TSHR (0.53) GLP1RMAPTKDM4EALDH1A1HPGD
SCHEMBL12574451 0.83 GLP1R (0.51) GLP1RMAPTKDM4EALDH1A1HPGD

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
CN-102143951-A Tri-substituted pyrimidine compounds and their use as PDE10 inhibitors MITSUBISHI TANABE PHARMA CORP 2011-08-03 CN 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 GLP1R 739/4885MAPT 3672/4885MAOB 140/4885

“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.