SCHEMBL13530585

SCHEMBL13530585

Fc1ccc(COc2ncc(F)c(NCc3ccc4c(c3)OCO4)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 1/20 0.51
PDE5A O76074 8/20 0.47
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
RAB9A P51151 1/20 0.43
CTSL P07711 1/20 0.43
POLB P06746 1/20 0.43
PPP1CA P62136 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
DYRK1A Q13627 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
HPGD P15428 1/20 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
SCHEMBL13530556 0.92 PDE5A (0.51) MAP2K4PDE5AKDM4EMAPTALDH1A1
SCHEMBL13530544 0.92 PDE5A (0.51) MAP2K4PDE5AKDM4EMAPTALDH1A1
SCHEMBL13530644 0.85 PDE5A (0.43) MAP2K4PDE5AKDM4EMAPTALDH1A1
SCHEMBL13530666 0.85 PDE5A (0.47) MAP2K4PDE5AALDH1A1KMT2AMEN1
SCHEMBL13530507 0.85 ALDH1A1 (0.46) MAP2K4PDE5AKDM4EMAPTALDH1A1
SCHEMBL13530561 0.85 MEN1 (0.47) MAP2K4PDE5AKDM4EMAPTALDH1A1
SCHEMBL13530614 0.85 MAOA (0.49) MAP2K4PDE5AKDM4EMAPTALDH1A1
SCHEMBL13530541 0.83 ALDH1A1 (0.51) MAP2K4PDE5AKDM4EMAPTALDH1A1
SCHEMBL656217 0.82 HDAC3 (0.55) MAP2K4PDE5AALDH1A1KMT2AMEN1
SCHEMBL13530542 0.81 MAP2K4 (0.46) MAP2K4PDE5AALDH1A1KMT2AMEN1

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-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

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 MAP2K4 3872/4885PDE5A 1262/4885KDM4E 1768/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 MAP2K4 3872/4885PDE5A 1262/4885KDM4E 1768/4885
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 MAP2K4 3872/4885PDE5A 1262/4885KDM4E 1768/4885

“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.