SCHEMBL13530649

SCHEMBL13530649

Cc1cnc(CNc2nc(OCCc3ccccc3)ncc2F)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 17/20 0.48
CYP1A2 P05177 16/20 0.48
CYP2D6 P10635 11/20 0.48
CYP2C19 P33261 10/20 0.48
ALDH1A1 P00352 9/20 0.48
HSD17B10 Q99714 8/20 0.48
KDM4E B2RXH2 7/20 0.48
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
ALOX15 P16050 4/20 0.48
HPGD P15428 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
ALOX12 P18054 1/20 0.48
CLK4 Q9HAZ1 5/20 0.46
USP2 O75604 4/20 0.46
GLA P06280 1/20 0.45
TSHR P16473 4/20 0.44
MAPT P10636 3/20 0.43
TP53 P04637 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
SCHEMBL13530574 0.83 USP1 (0.47) ALDH1A1HSD17B10KDM4EMEN1KMT2A
SCHEMBL13530606 0.82 CYP3A4 (0.44) CYP3A4CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL13530663 0.81 KDM4E (0.41) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL13530629 0.80 CYP3A4 (0.40) CYP3A4CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL13530564 0.80 METAP1 (0.44) CYP3A4CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL13530619 0.79 ALDH1A1 (0.45) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL13530521 0.78 CYP3A4 (0.44) CYP3A4CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL13530590 0.78 CYP3A4 (0.40) CYP3A4CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL13530551 0.77 CYP3A4 (0.40) CYP3A4CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL13530297 0.77 PIN1 (0.42) ALDH1A1KDM4ECLK4PDE10A

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-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-2562166-B1 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-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.