SCHEMBL5021096

SCHEMBL5021096

FC(F)(F)COc1nc(Cl)ncc1C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 4/20 0.34
CDK2 P24941 3/20 0.34
CNR2 P34972 2/20 0.33
MAP4K1 Q92918 1/20 0.32
KDR P35968 3/20 0.32
AURKA O14965 1/20 0.32
AURKB Q96GD4 1/20 0.32
POLB P06746 1/20 0.32
CASP6 P55212 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
THRB P10828 1/20 0.32
G6PD P11413 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL22895466 0.84 NUDT1 (0.43) CNR2POLBCASP6L3MBTL1ALDH1A1
SCHEMBL12609916 0.82 POLB (0.44) CNR2POLBCASP6L3MBTL1ALDH1A1
SCHEMBL9930106 0.81 CDK1 (0.35) CDK1CDK2KDRAURKAAURKB
SCHEMBL2524636 0.80 CDK1 (0.49) CDK1CDK2KDRPOLBHSD17B10
SCHEMBL17240893 0.80 MKNK1 (0.36) CDK1CDK2MAP4K1KDRAURKA
SCHEMBL2015792 0.80 AURKA (0.48) KDRAURKAAURKBALDH1A1KDM4E
SCHEMBL5021097 0.79 CDK1 (0.38) CDK1CDK2KDRAURKAAURKB
SCHEMBL9192993 0.79 AURKA (0.32) KDRAURKAAURKBPOLBCASP6
SCHEMBL18338730 0.78 PIN1 (0.56) CDK1CDK2CNR2L3MBTL1NFKB1
SCHEMBL16702809 0.74 PIN1 (0.59) ALDH1A1MAPTALOX15PIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3590933-B1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2021-01-06 EP disclosed
EP-2638031-B9 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2020-01-08 EP disclosed
EP-2638031-B9 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2020-01-08 EP disclosed
EP-3124483-B1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2019-07-10 EP disclosed
EP-3124483-B1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2019-07-10 EP disclosed
US-10087147-B2 5-(trifluoromethyl)pyrimidine derivatives and method for producing same TOSOH F-TECH, INC. (JP) 2018-10-02 US disclosed
EP-2638031-B1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2017-10-11 EP disclosed
EP-2638031-B1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2017-10-11 EP disclosed
US-20170217906-A1 5-(TRIFLUOROMETHYL)PYRIMIDINE DERIVATIVES AND METHOD FOR PRODUCING SAME TOSOH F-TECH, INC. (JP) 2017-08-03 US disclosed
US-9656970-B2 5-(trifluoromethyl)pyrimidine derivatives and method for producing same TOSOH F-TECH, INC. (JP) 2017-05-23 US disclosed
EP-3124483-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. Hoffmann-La Roche AG (CH) 2017-02-01 EP disclosed
EP-3124483-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. Hoffmann-La Roche AG (CH) 2017-02-01 EP disclosed
US-20160376241-A1 5-(TRIFLUOROMETHYL)PYRIMIDINE DERIVATIVES AND METHOD FOR PRODUCING SAME TOSOH F-TECH, INC. (JP) 2016-12-29 US disclosed
US-8815882-B2 Pyrazole aminopyrimidine derivatives as LRRK2 modulators GENENTECH, INC. (US) 2014-08-26 US disclosed
US-8815882-B2 Pyrazole aminopyrimidine derivatives as LRRK2 modulators GENENTECH, INC. (US) 2014-08-26 US disclosed
US-8815882-B2 Pyrazole aminopyrimidine derivatives as LRRK2 modulators GENENTECH, INC. (US) 2014-08-26 US disclosed
US-20120157427-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 US disclosed
US-20120157427-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 US disclosed
US-20120157427-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 US disclosed
WO-2012062783-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-05-18 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 (4 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-20160376241-A1 5-(TRIFLUOROMETHYL)PYRIMIDINE DERIVATIVES AND METHOD FOR PRODUCING SAME DPYD, DHFR, TYMS CDK1 2557/4885CDK2 351/4885CNR2 508/4885
US-20170217906-A1 5-(TRIFLUOROMETHYL)PYRIMIDINE DERIVATIVES AND METHOD FOR PRODUCING SAME DPYD, DHFR, TYMS CDK1 2557/4885CDK2 351/4885CNR2 508/4885
US-20120157427-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS LRRK2, PARK7, PINK1 CDK1 496/4885CDK2 230/4885CNR2 1173/4885
US-10087147-B2 5-(trifluoromethyl)pyrimidine derivatives and method for producing same DPYD, DHFR, TYMS CDK1 2557/4885CDK2 351/4885CNR2 508/4885

“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.