SCHEMBL13529909

SCHEMBL13529909

COc1cccc(COc2ncc(F)c(N(N)c3ccccc3)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.46
CYP3A4 P08684 3/20 0.46
TSHR P16473 3/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
ALDH1A1 P00352 2/20 0.44
CYP2C9 P11712 2/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAOB P27338 7/20 0.43
IDO1 P14902 2/20 0.41
AGXT P21549 2/20 0.41
MPO P05164 1/20 0.41
ABCB1 P08183 2/20 0.40
HTR1A P08908 2/20 0.40
DRD2 P14416 2/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
CASP1 P29466 1/20 0.40

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
SCHEMBL3173459 0.94 MAOB (0.45) CYP1A2CYP3A4TSHRCYP2D6CYP2C19
SCHEMBL17011429 0.92 MAOB (0.41) CYP1A2CYP3A4TSHRCYP2D6CYP2C19
SCHEMBL13530299 0.87 MAOB (0.46) CYP1A2CYP3A4TSHRCYP2D6CYP2C19
SCHEMBL13530123 0.86 PIN1 (0.40) CYP1A2CYP3A4TSHRCYP2D6CYP2C19
SCHEMBL13529872 0.85 MAOB (0.44) CYP1A2CYP3A4TSHRCYP2D6CYP2C19
SCHEMBL13529886 0.84 MAOB (0.48) CYP1A2CYP3A4TSHRCYP2D6CYP2C19
SCHEMBL13730293 0.82 MAOB (0.46) CYP1A2CYP3A4TSHRCYP2D6CYP2C19
SCHEMBL13529439 0.81 CYP1A2 (0.39) CYP1A2CYP3A4TSHRCYP2D6CYP2C19
SCHEMBL13529466 0.80 HTR2C (0.41) CYP1A2CYP3A4TSHRCYP2D6CYP2C19
SCHEMBL3184823 0.79 MAOB (0.50) 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 11 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
EP-2252594-B1 4-AMINO-5-FLUORO-PYRIMIDINE DERIVATIVES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2015-08-19 EP 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-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
WO-2009094442-A2 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2009-07-30 WO 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.