SCHEMBL13530646

SCHEMBL13530646

COc1cccc(COc2ncc(F)c(NCc3cccs3)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.52
CYP3A4 P08684 7/20 0.52
TSHR P16473 7/20 0.52
CYP2D6 P10635 6/20 0.52
CYP2C19 P33261 6/20 0.52
CLK4 Q9HAZ1 6/20 0.52
ALDH1A1 P00352 6/20 0.52
LMNA P02545 6/20 0.52
MAPK1 P28482 5/20 0.52
HSD17B10 Q99714 4/20 0.52
CYP2C9 P11712 3/20 0.52
ALOX15 P16050 1/20 0.52
HPGD P15428 5/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 3/20 0.48
KDM4E B2RXH2 3/20 0.48
HIF1A Q16665 2/20 0.48
USP2 O75604 2/20 0.48
DYRK1A Q13627 2/20 0.48

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
SCHEMBL13530610 0.89 ALDH1A1 (0.47) CYP1A2CYP3A4TSHRCYP2D6CYP2C19
SCHEMBL13530616 0.88 MAPK1 (0.42) CYP1A2CYP3A4TSHRCYP2D6CYP2C19
SCHEMBL13530626 0.86 CLK4 (0.45) CYP1A2CYP3A4TSHRCYP2D6CYP2C19
SCHEMBL13530595 0.85 TSHR (0.40) CYP1A2CYP3A4TSHRCYP2D6CYP2C19
SCHEMBL13529752 0.85 EGFR (0.46) CYP1A2CYP3A4TSHRCYP2D6CYP2C19
SCHEMBL13530509 0.84 NPC1 (0.44) CYP1A2CYP3A4TSHRCYP2D6CYP2C19
SCHEMBL13530187 0.83 MAOB (0.46) CYP1A2CYP3A4TSHRCYP2D6CYP2C19
SCHEMBL13530530 0.83 TSHR (0.43) CYP1A2CYP3A4TSHRCYP2D6CYP2C19
SCHEMBL13530012 0.83 MAOB (0.47) CYP1A2CYP3A4TSHRCYP2D6CYP2C19
SCHEMBL13529771 0.83 L3MBTL1 (0.45) CYP1A2CYP3A4TSHRCYP2D6CYP2C19

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 CYP1A2 430/4885CYP3A4 207/4885TSHR 3010/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 CYP1A2 430/4885CYP3A4 207/4885TSHR 3010/4885
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 CYP1A2 430/4885CYP3A4 207/4885TSHR 3010/4885

“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.