SCHEMBL13530608

SCHEMBL13530608

Fc1cnc(OCC(F)(F)F)nc1NCc1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.43
CCNE2 O96020 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
ADORA2A P29274 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
USP1 O94782 1/20 0.40
WDR48 Q8TAF3 1/20 0.40
PTK2 Q05397 1/20 0.39
FABP4 P15090 1/20 0.39
GPR39 O43194 1/20 0.39
STK17A Q9UEE5 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
CNR2 P34972 1/20 0.38

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
SCHEMBL13530624 0.88 KDM4E (0.44) CNR1MAPTUSP1WDR48KDM4E
SCHEMBL13530575 0.88 MAPT (0.40) TP53MAPTUSP1WDR48FABP4
SCHEMBL13530517 0.86 CNR1 (0.52) CNR1CCNE2CCNE1CDK2CNR2
SCHEMBL13530514 0.86 KDM4E (0.42) CNR1CCNE2CCNE1CDK2STK17A
SCHEMBL17011538 0.83 EGFR (0.38) TDP1USP1WDR48KDM4EALDH1A1
SCHEMBL13530543 0.82 VNN1 (0.45) CNR1TP53MAPTADORA2ATDP1
SCHEMBL13530529 0.82 CNR1 (0.42) CNR1CCNE2CCNE1CDK2GPR39
SCHEMBL13530553 0.81 CNR1 (0.43) CNR1STK17ACNR2
SCHEMBL13530571 0.81 CNR1 (0.41) CNR1STK17AKDM4EALDH1A1CNR2
SCHEMBL13530519 0.81 CNR1 (0.51) CNR1KDM4EALDH1A1HPGDCNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9204653-B2 5-fluoro pyrimidine derivatives DOW AGROSCIENCES LLC (US) 2015-12-08 US disclosed
US-9204653-B2 5-fluoro pyrimidine derivatives DOW AGROSCIENCES LLC (US) 2015-12-08 US disclosed
US-9174970-B2 5-fluoro pyrimidine derivatives DOW AGROSCIENCES LLC (US) 2015-11-03 US disclosed
US-9174970-B2 5-fluoro pyrimidine derivatives DOW AGROSCIENCES LLC (US) 2015-11-03 US disclosed
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2014-01-23 US disclosed
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2014-01-23 US disclosed
US-20100022538-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2010-01-28 US disclosed
US-20100022538-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2010-01-28 US disclosed
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2009-08-13 US disclosed
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2009-08-13 US 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 (3 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-20100022538-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 CNR1 4592/4885CCNE2 2880/4885CCNE1 1728/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 CNR1 4592/4885CCNE2 2880/4885CCNE1 1728/4885
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 CNR1 4592/4885CCNE2 2880/4885CCNE1 1728/4885

“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.