SCHEMBL13530592

SCHEMBL13530592

Fc1ccccc1CNc1nc(OCc2ccccn2)ncc1F

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PDE5A O76074 9/20 0.43
PDE10A Q9Y233 1/20 0.41
KDM4E B2RXH2 1/20 0.40
PKM P14618 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 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
SCHEMBL13530512 0.87 MAPT (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL13530454 0.84 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL13530623 0.83 SMN1; SMN2 (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL13530650 0.83 PDE5A (0.52) MEN1KMT2ASMN1; SMN2PDE5APDE10A
SCHEMBL13530567 0.82 L3MBTL1 (0.49) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL13530602 0.82 MEN1 (0.42) ALDH1A1MEN1KMT2APDE5AKDM4E
SCHEMBL3185270 0.82 MAOB (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL13530636 0.80 MAOB (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL1448423 0.80 LMNA (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL13530631 0.80 MEN1 (0.49) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E

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 ALDH1A1 1302/4885MEN1 3460/4885KMT2A 3037/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 ALDH1A1 1302/4885MEN1 3460/4885KMT2A 3037/4885
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 ALDH1A1 1302/4885MEN1 3460/4885KMT2A 3037/4885

“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.