SCHEMBL13530310

SCHEMBL13530310

CCCCOc1ncc(F)c(NCc2ccc(OC)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48
CTSL P07711 1/20 0.44
EGFR P00533 2/20 0.43
JAK3 P52333 1/20 0.43
BTK Q06187 1/20 0.43
MAPT P10636 2/20 0.43
MAP2K4 P45985 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.43
NR2F2 P24468 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
VNN1 O95497 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL27870476 0.88 ALDH1A1 (0.49) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL13529863 0.85 CLK4 (0.47) EGFRJAK3BTKMAPTSMN1; SMN2
SCHEMBL13530467 0.84 MAP2K4 (0.47) EGFRJAK3BTKMAPTMAP2K4
SCHEMBL23642736 0.83 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL13530502 0.83 KDM4E (0.47) EGFRJAK3BTKPOLBNR2F2
SCHEMBL13529604 0.83 CLK1 (0.46) EGFRJAK3BTKMAPTMAP2K4
SCHEMBL13530645 0.82 CLK4 (0.48) EGFRJAK3BTKMAPTSMN1; SMN2
SCHEMBL34462329 0.81 KDM4E (0.52) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL17011498 0.81 MAPT (0.47) EGFRJAK3BTKMAPTMAP2K4
SCHEMBL13529752 0.81 EGFR (0.46) EGFRJAK3BTKMAPTSMN1; SMN2

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 PDE4A 904/4885PDE4B 513/4885PDE4C 797/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 PDE4A 904/4885PDE4B 513/4885PDE4C 797/4885
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 PDE4A 904/4885PDE4B 513/4885PDE4C 797/4885

“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.