SCHEMBL13530508

SCHEMBL13530508

Fc1ccc(COc2ncc(F)c(NCCc3ccccc3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.46
KCNH2 Q12809 1/20 0.46
GRIN2B Q13224 1/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP1A2 P05177 3/20 0.46
TSHR P16473 3/20 0.46
CYP3A4 P08684 2/20 0.46
HPGD P15428 2/20 0.46
CYP2D6 P10635 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
TRPV6 Q9H1D0 1/20 0.44
USP2 O75604 1/20 0.43
CYP2C9 P11712 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL13530642 0.91 F2 (0.44) F2KCNH2GRIN2BALDH1A1CYP1A2
SCHEMBL13530612 0.91 BCHE (0.47) F2KCNH2GRIN2BALDH1A1CYP1A2
SCHEMBL13530564 0.87 METAP1 (0.44) ALDH1A1CYP1A2CYP3A4CYP2D6MAPK1
SCHEMBL3173619 0.85 ALDH1A1 (0.46) ALDH1A1CYP1A2TSHRCYP3A4HPGD
SCHEMBL13530563 0.81 METAP1 (0.40) ALDH1A1HPGDMAPK1MEN1KMT2A
SCHEMBL13530653 0.81 KDM4E (0.39) F2KCNH2GRIN2BALDH1A1CYP1A2
SCHEMBL13530528 0.81 ALDH1A1 (0.38) F2KCNH2GRIN2BALDH1A1CYP1A2
SCHEMBL3168861 0.81 ALDH1A1 (0.40) GRIN2BALDH1A1CYP1A2TSHRCYP3A4
SCHEMBL13529625 0.81 LMNA (0.45) ALDH1A1CYP1A2TSHRCYP3A4HPGD
SCHEMBL13530381 0.81 ALDH1A1 (0.43) ALDH1A1CYP1A2TSHRCYP3A4HPGD

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 F2 4367/4885KCNH2 3617/4885GRIN2B 1784/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 F2 4367/4885KCNH2 3617/4885GRIN2B 1784/4885
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 F2 4367/4885KCNH2 3617/4885GRIN2B 1784/4885

“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.