SCHEMBL13530372

SCHEMBL13530372

COCCOC(=O)Nc1nc(OCc2cccc(C#N)c2)ncc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CASP1 P29466 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SGMS2 Q8NHU3 1/20 0.42
FFAR1 O14842 2/20 0.41
FFAR4 Q5NUL3 1/20 0.41
BTK Q06187 3/20 0.41
EGLN2 Q96KS0 1/20 0.40
ADAMTS4 O75173 1/20 0.39
MMP13 P45452 1/20 0.39
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
VNN1 O95497 2/20 0.38
MAOB P27338 1/20 0.38
SPHK2 Q9NRA0 1/20 0.38
SPHK1 Q9NYA1 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
SCHEMBL13529818 0.90 FFAR1 (0.44) SGMS2FFAR1FFAR4BTKADAMTS4
SCHEMBL13530394 0.88 PPIA (0.45) ALDH1A1CYP1A2CYP3A4CYP2C9CASP1
SCHEMBL13529793 0.88 ACACB (0.42) SGMS2BTKMAOBMRGPRX4
SCHEMBL13529704 0.86 NPC1 (0.51) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL13530486 0.86 NLRP3 (0.45) SGMS2FFAR1FFAR4BTKADAMTS4
SCHEMBL13529577 0.85 MAPK1 (0.43) ALDH1A1CYP1A2CYP3A4CYP2C9CASP1
SCHEMBL13529707 0.81 CYP1A2 (0.39) ALDH1A1CYP1A2CYP3A4CYP2C9CASP1
SCHEMBL13530232 0.81 ADAMTS4 (0.44) SGMS2FFAR1FFAR4ADAMTS4MMP13
SCHEMBL13530423 0.81 LMNA (0.43) ALDH1A1HSD17B10BTKROCK2MAOB
SCHEMBL13529562 0.81 CNR1 (0.42) SGMS2FFAR1FFAR4BTKADAMTS4

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 ALDH1A1 1302/4885CYP1A2 430/4885CYP3A4 207/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 ALDH1A1 1302/4885CYP1A2 430/4885CYP3A4 207/4885
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 ALDH1A1 1302/4885CYP1A2 430/4885CYP3A4 207/4885

“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.