SCHEMBL13530458

SCHEMBL13530458

CCOCNc1nc(OCc2ccccc2)ncc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 9/20 0.40
ALDH1A1 P00352 9/20 0.40
TSHR P16473 7/20 0.40
CYP3A4 P08684 5/20 0.40
CYP2C9 P11712 4/20 0.40
USP2 O75604 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CLK4 Q9HAZ1 1/20 0.39
PIN1 Q13526 1/20 0.38
HSD17B10 Q99714 3/20 0.38
CASP1 P29466 2/20 0.38
CASP7 P55210 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP2C19 P33261 4/20 0.38
LMNA P02545 4/20 0.38
HIF1A Q16665 1/20 0.38
MAPK1 P28482 4/20 0.37
CYP2D6 P10635 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL13529859 0.91 ALDH1A1 (0.42) CYP1A2ALDH1A1TSHRCYP3A4CYP2C9
SCHEMBL13530379 0.90 AURKA (0.36) CYP1A2ALDH1A1TSHRCYP3A4CYP2C9
SCHEMBL13529784 0.90 ALDH1A1 (0.40) CYP1A2ALDH1A1TSHRCYP3A4CYP2C9
SCHEMBL13530146 0.88 NTRK1 (0.44) ALDH1A1KDM4ELMNASMN1; SMN2RXRA
SCHEMBL13529561 0.88 CYP1A2 (0.41) CYP1A2ALDH1A1TSHRCYP3A4CYP2C9
SCHEMBL13529625 0.87 LMNA (0.45) CYP1A2ALDH1A1TSHRCYP3A4CYP2C9
SCHEMBL3173619 0.86 ALDH1A1 (0.46) CYP1A2ALDH1A1TSHRCYP3A4CYP2C9
SCHEMBL14734485 0.86 SYK (0.39) RXRAGRIN1GRIN2BNTRK1
SCHEMBL13530293 0.85 MAOB (0.43) CYP1A2ALDH1A1TSHRCYP3A4CYP2C9
SCHEMBL13530172 0.84 SYK (0.41) CYP1A2ALDH1A1CYP3A4CYP2C9HSD17B10

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-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 430/4885ALDH1A1 1302/4885TSHR 3010/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 CYP1A2 430/4885ALDH1A1 1302/4885TSHR 3010/4885
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 CYP1A2 430/4885ALDH1A1 1302/4885TSHR 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.