SCHEMBL2019965

SCHEMBL2019965

CCOC(=O)c1nc2ccc(C(F)(F)F)cc2nc1O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
KDM4E B2RXH2 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HSP90AA1 P07900 1/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
MAOB P27338 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
DHFR P00374 1/20 0.42
GLP1R P43220 1/20 0.41

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
SCHEMBL2022097 1.00 MAPT (0.49) MAPTKDM4EMEN1KMT2AHSP90AA1
SCHEMBL2022107 0.88 MAPT (0.47) MAPTKDM4EMEN1KMT2AHSP90AA1
SCHEMBL2021606 0.88 MAPT (0.47) MAPTKDM4EMEN1KMT2AHSP90AA1
SCHEMBL2019662 0.86 GLP1R (0.46) MAPTKDM4EMEN1KMT2AHSP90AA1
SCHEMBL2019148 0.86 GLP1R (0.46) MAPTKDM4EMEN1KMT2AHSP90AA1
SCHEMBL2019060 0.83 TSHR (0.54) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL2018469 0.83 TSHR (0.54) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL30682096 0.83 TSHR (0.54) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL12574452 0.82 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10GLP1R
SCHEMBL12574454 0.82 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10GLP1R

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 MAPT 3672/4885KDM4E 322/4885MEN1 3114/4885

“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.