SCHEMBL13530606

SCHEMBL13530606

Cc1cnc(CNc2nc(OCc3ccc(F)cc3)ncc2F)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 18/20 0.44
CYP1A2 P05177 17/20 0.44
CYP2D6 P10635 11/20 0.44
HSD17B10 Q99714 11/20 0.44
ALDH1A1 P00352 10/20 0.44
CYP2C19 P33261 10/20 0.44
MEN1 O00255 7/20 0.44
KMT2A Q03164 7/20 0.44
ALOX15 P16050 5/20 0.44
KDM4E B2RXH2 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 2/20 0.44
ALOX12 P18054 1/20 0.44
TSHR P16473 6/20 0.40
CLK4 Q9HAZ1 6/20 0.40
USP2 O75604 4/20 0.40
GLA P06280 1/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 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
SCHEMBL13530629 0.93 CYP3A4 (0.40) CYP3A4CYP1A2CYP2D6HSD17B10ALDH1A1
SCHEMBL13530590 0.91 CYP3A4 (0.40) CYP3A4CYP1A2CYP2D6HSD17B10ALDH1A1
SCHEMBL13530671 0.83 AURKA (0.43) CYP3A4CYP1A2ALDH1A1CYP2C19KDM4E
SCHEMBL13530649 0.82 CYP3A4 (0.48) CYP3A4CYP1A2CYP2D6HSD17B10ALDH1A1
SCHEMBL13530551 0.81 CYP3A4 (0.40) CYP3A4CYP1A2CYP2D6HSD17B10ALDH1A1
SCHEMBL13529784 0.81 ALDH1A1 (0.40) CYP3A4CYP1A2CYP2D6HSD17B10ALDH1A1
SCHEMBL13530523 0.81 CYP3A4 (0.40) CYP3A4CYP1A2CYP2D6HSD17B10ALDH1A1
SCHEMBL13530225 0.80 ALDH1A1 (0.40) CYP3A4CYP1A2CYP2D6HSD17B10ALDH1A1
SCHEMBL13530521 0.80 CYP3A4 (0.44) CYP3A4CYP1A2CYP2D6HSD17B10ALDH1A1
SCHEMBL13764984 0.80 MAPT (0.45) ALDH1A1MEN1KMT2AKDM4ETDP1

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 CYP3A4 207/4885CYP1A2 430/4885CYP2D6 124/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 CYP3A4 207/4885CYP1A2 430/4885CYP2D6 124/4885
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 CYP3A4 207/4885CYP1A2 430/4885CYP2D6 124/4885

“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.