SCHEMBL13530280

SCHEMBL13530280

Nc1nc(Oc2cccc(Cl)c2)ncc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCK P27707 4/20 0.56
CYP1A2 P05177 13/20 0.47
CYP2C9 P11712 10/20 0.47
CYP2C19 P33261 9/20 0.47
CYP3A4 P08684 9/20 0.47
USP2 O75604 8/20 0.47
TSHR P16473 7/20 0.47
CYP2D6 P10635 4/20 0.47
MAP4K4 O95819 1/20 0.46
ALDH1A1 P00352 6/20 0.46
MAPK1 P28482 2/20 0.46
HSD17B10 Q99714 2/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
HIF1A Q16665 2/20 0.44
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.43
GLA P06280 1/20 0.43
MEN1 O00255 2/20 0.43

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
SCHEMBL17011539 0.85 POLB (0.49) DCKCYP3A4MAP4K4ALDH1A1TP53
SCHEMBL13530100 0.78 DHFR (0.49) DCKCYP3A4DHFR
SCHEMBL15432472 0.78 F10 (0.45) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL13530417 0.78 DCK (0.39) DCKCYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL13530244 0.77 DCK (0.40) DCKSCN9A
SCHEMBL13529746 0.75 DCK (0.57) DCKCYP1A2CYP2C19CYP3A4ALDH1A1
SCHEMBL10589841 0.74 CYP1A2 (0.53) CYP1A2CYP2C9CYP2C19CYP3A4USP2
SCHEMBL13530242 0.74 DCK (0.53) DCKMAP4K4ALDH1A1MEN1KMT2A
SCHEMBL13529761 0.73 DCK (0.40) DCK
SCHEMBL14734488 0.73 MEN1 (0.41) DCKMAPK1MEN1KMT2ASCN9A

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 12 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
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 DCK 64/4885CYP1A2 430/4885CYP2C9 665/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 DCK 64/4885CYP1A2 430/4885CYP2C9 665/4885
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 DCK 64/4885CYP1A2 430/4885CYP2C9 665/4885

“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.