SCHEMBL13530582

SCHEMBL13530582

Fc1cnc(OCc2ccccc2Cl)nc1NCc1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
EGFR P00533 1/20 0.40
PRKCQ Q04759 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GABRA1 P14867 4/20 0.39
GABRA2 P47869 4/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
USP1 O94782 1/20 0.39
WDR48 Q8TAF3 1/20 0.39
APP P05067 1/20 0.39
MPO P05164 1/20 0.38
MAOB P27338 1/20 0.38
PDE5A O76074 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 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
SCHEMBL13530658 0.89 KMT2A (0.43) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL13530602 0.87 MEN1 (0.42) TP53GAAMAPTKDM4EALDH1A1
SCHEMBL13530514 0.87 KDM4E (0.42) EGFRKDM4EALDH1A1
SCHEMBL13530631 0.85 MEN1 (0.49) TP53GAAMAPTKDM4EALDH1A1
SCHEMBL13530543 0.83 VNN1 (0.45) TP53MAPTKDM4EALDH1A1GABRA1
SCHEMBL13530650 0.83 PDE5A (0.52) TP53KDM4EMEN1KMT2APDE5A
SCHEMBL13530553 0.82 CNR1 (0.43) MAOB
SCHEMBL13530571 0.82 CNR1 (0.41) EGFRKDM4EALDH1A1
SCHEMBL13530565 0.82 FNTA (0.44) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL13530637 0.81 POLB (0.43) MAPTKDM4EALDH1A1

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 8 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-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-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 TP53 134/4885GAA 1638/4885MAPT 3308/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 TP53 134/4885GAA 1638/4885MAPT 3308/4885
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 TP53 134/4885GAA 1638/4885MAPT 3308/4885

“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.