SCHEMBL13530559

SCHEMBL13530559

Fc1ccccc1CNc1nc(OCc2ccc(C(F)(F)F)cc2)ncc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
APP P05067 1/20 0.38
EPHX2 P34913 1/20 0.37
AR P10275 1/20 0.37
AURKA O14965 1/20 0.37
RPS6KB1 P23443 1/20 0.37
AURKB Q96GD4 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CNR1 P21554 1/20 0.36
TOP2A P11388 1/20 0.36
MAOB P27338 2/20 0.36
RXRA P19793 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
VNN1 O95497 1/20 0.36
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35

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
SCHEMBL3185270 0.89 MAOB (0.45) MEN1KMT2AKDM4EALDH1A1MAOB
SCHEMBL13530454 0.88 ALDH1A1 (0.46) MEN1KMT2AKDM4EALDH1A1VNN1
SCHEMBL13530594 0.88 MAOB (0.48) MEN1KMT2AAPPKDM4ECNR1
SCHEMBL13530623 0.87 SMN1; SMN2 (0.43) MEN1KMT2ARPS6KB1AURKBKDM4E
SCHEMBL13530667 0.87 MEN1 (0.40) PTK2MEN1KMT2AKDM4EALDH1A1
SCHEMBL13530631 0.86 MEN1 (0.49) MEN1KMT2AKDM4EALDH1A1MAOB
SCHEMBL1448423 0.86 LMNA (0.46) MEN1KMT2AKDM4EALDH1A1MAOB
SCHEMBL13530512 0.84 MAPT (0.45) MEN1KMT2AKDM4EALDH1A1MAOB
SCHEMBL13529678 0.84 MEN1 (0.44) MEN1KMT2AAPPAURKAALDH1A1
SCHEMBL13530527 0.84 MAOB (0.46) MEN1KMT2AKDM4EALDH1A1MAOB

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 PTK2 3642/4885MEN1 3460/4885KMT2A 3037/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 PTK2 3642/4885MEN1 3460/4885KMT2A 3037/4885
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 PTK2 3642/4885MEN1 3460/4885KMT2A 3037/4885

“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.