SCHEMBL13530663

SCHEMBL13530663

Fc1ccccc1CNc1nc(OCCc2ccccc2)ncc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PDE10A Q9Y233 1/20 0.41
PIN1 Q13526 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
VNN1 O95497 1/20 0.41
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
USP1 O94782 1/20 0.39
WDR48 Q8TAF3 1/20 0.39
POLB P06746 2/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 1/20 0.37
ABL1 P00519 2/20 0.37
SRC P12931 2/20 0.37
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
MAP4K4 O95819 1/20 0.36
AURKA O14965 1/20 0.35

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
SCHEMBL13529724 0.91 MEN1 (0.47) KDM4EALDH1A1PDE10APIN1SMN1; SMN2
SCHEMBL13530454 0.88 ALDH1A1 (0.46) KDM4EALDH1A1PIN1SMN1; SMN2VNN1
SCHEMBL13530564 0.85 METAP1 (0.44) KDM4EALDH1A1PDE10APIN1KMT2A
SCHEMBL13529481 0.84 SMN1; SMN2 (0.44) KDM4ESMN1; SMN2VNN1KMT2AMEN1
SCHEMBL13530619 0.83 ALDH1A1 (0.45) KDM4EALDH1A1PDE10APIN1KMT2A
SCHEMBL13530574 0.83 USP1 (0.47) KDM4EALDH1A1PDE10APIN1SMN1; SMN2
SCHEMBL13530512 0.83 MAPT (0.45) KDM4EALDH1A1SMN1; SMN2VNN1KMT2A
SCHEMBL3185270 0.83 MAOB (0.45) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL13530297 0.81 PIN1 (0.42) KDM4EALDH1A1PDE10APIN1USP1
SCHEMBL13530545 0.81 MEN1 (0.44) KDM4EALDH1A1PDE10ASMN1; SMN2KMT2A

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 10 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

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 KDM4E 1768/4885ALDH1A1 1302/4885PDE10A 2487/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 KDM4E 1768/4885ALDH1A1 1302/4885PDE10A 2487/4885
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 KDM4E 1768/4885ALDH1A1 1302/4885PDE10A 2487/4885

“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.