SCHEMBL13530371

SCHEMBL13530371

CCc1ccccc1NNc1nc(OCc2ccc(F)cc2)ncc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
CYP1A2 P05177 5/20 0.44
CYP3A4 P08684 3/20 0.44
TSHR P16473 3/20 0.44
CYP2C9 P11712 2/20 0.44
USP2 O75604 1/20 0.44
HPGD P15428 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2D6 P10635 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 2/20 0.42
CASP7 P55210 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
P2RX7 Q99572 2/20 0.42
PKM P14618 2/20 0.41
HTT P42858 3/20 0.38
MAOB P27338 1/20 0.38
HDAC1 Q13547 1/20 0.37

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
SCHEMBL13530713 0.92 CYP1A2 (0.39) ALDH1A1CYP1A2CYP3A4TSHRCYP2C9
SCHEMBL13530775 0.87 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP3A4TSHRCYP2C9
SCHEMBL13530171 0.84 ALDH1A1 (0.45) ALDH1A1CYP1A2CYP3A4TSHRCYP2C9
SCHEMBL13530754 0.81 CYP1A2 (0.46) ALDH1A1CYP1A2CYP3A4TSHRCYP2C9
SCHEMBL3185270 0.80 MAOB (0.45) ALDH1A1CYP1A2CYP3A4TSHRCYP2C9
SCHEMBL13530771 0.80 CYP1A2 (0.41) ALDH1A1CYP1A2CYP3A4TSHRCYP2C9
SCHEMBL13530718 0.79 AURKA (0.44) ALDH1A1CYP1A2CYP3A4TSHRCYP2C9
SCHEMBL13530225 0.78 ALDH1A1 (0.40) ALDH1A1CYP1A2CYP3A4TSHRCYP2C9
SCHEMBL13530488 0.78 RXRA (0.47) ALDH1A1CYP1A2CYP3A4TSHRCYP2C9
SCHEMBL17012512 0.77 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP3A4TSHRCYP2C9

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 9 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
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 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.