SCHEMBL13529680

SCHEMBL13529680

CN(C)/C=N/c1nc(Cl)ncc1F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 2/20 0.37
ALDH1A1 P00352 8/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 2/20 0.36
CASP6 P55212 1/20 0.36
KDM4E B2RXH2 6/20 0.36
GAA P10253 2/20 0.35
KMT2A Q03164 4/20 0.34
ALOX15 P16050 1/20 0.34
RECQL P46063 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 2/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GLA P06280 1/20 0.33

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
SCHEMBL17012041 0.81 CYP1A2 (0.39) SMN1; SMN2MAPTALDH1A1L3MBTL1POLB
SCHEMBL1224399 0.80 ALOX15 (0.34) SMN1; SMN2MAPTALDH1A1L3MBTL1POLB
SCHEMBL1224327 0.80 ALOX15 (0.34) SMN1; SMN2MAPTALDH1A1L3MBTL1POLB
SCHEMBL1224326 0.80 ALOX15 (0.34) SMN1; SMN2MAPTALDH1A1L3MBTL1POLB
SCHEMBL13750881 0.78 L3MBTL1 (0.41) SMN1; SMN2MAPTALDH1A1L3MBTL1KDM4E
SCHEMBL16286354 0.78 ALOX15 (0.33) SMN1; SMN2MAPTALDH1A1L3MBTL1KDM4E
SCHEMBL12515514 0.78 ALOX15 (0.33) SMN1; SMN2MAPTALDH1A1L3MBTL1KDM4E
SCHEMBL14730545 0.78 L3MBTL1 (0.35) SMN1; SMN2MAPTALDH1A1L3MBTL1POLB
SCHEMBL2035429 0.78 ALOX15 (0.33) SMN1; SMN2MAPTALDH1A1L3MBTL1KDM4E
SCHEMBL19844894 0.76 GAA (0.47) SMN1; SMN2MAPTALDH1A1L3MBTL1POLB

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 13 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-2562162-B1 N-CYANO-4-AMINO-5-FLUORO-PYRIMIDINE DERIVATIVES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2015-08-19 EP 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
EP-2562165-A1 5-FLUORO PYRIMIDINE DERIVATIVES AS FUNGICIDES Dow AgroSciences LLC (US) 2013-02-27 EP 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 SMN1; SMN2 2803/4885MAPT 3308/4885ALDH1A1 1302/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 SMN1; SMN2 2803/4885MAPT 3308/4885ALDH1A1 1302/4885
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 SMN1; SMN2 2803/4885MAPT 3308/4885ALDH1A1 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.