SCHEMBL13529699

SCHEMBL13529699

CN(C)/C=N/c1nc(OC(=O)c2c(Cl)cccc2Cl)ncc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 4/20 0.36
HPGD P15428 4/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 3/20 0.33
MAPK7 Q13164 2/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
PBRM1 Q86U86 1/20 0.32

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
SCHEMBL13529500 0.88 CYP1A2 (0.38) LMNAKDM4EALDH1A1HPGDNPC1
SCHEMBL13530127 0.84 ALDH1A1 (0.41) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL13530275 0.83 MAPT (0.44) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL13529288 0.83 ALDH1A1 (0.43) LMNAKDM4EALDH1A1HPGDNPC1
SCHEMBL13529386 0.82 ALDH1A1 (0.38) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL13529730 0.82 KMT2A (0.49) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL17004447 0.80 CYP1A2 (0.36) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL17004446 0.80 CYP1A2 (0.36) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL13530492 0.80 CASP3 (0.36) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL13530474 0.79 ESR1 (0.42) KDM4EALDH1A1HPGDNPC1RAB9A

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
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 LMNA 4636/4885KDM4E 1768/4885ALDH1A1 1302/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 LMNA 4636/4885KDM4E 1768/4885ALDH1A1 1302/4885
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 LMNA 4636/4885KDM4E 1768/4885ALDH1A1 1302/4885

“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.