SCHEMBL13530595

SCHEMBL13530595

Fc1ccc(COc2ncc(F)c(NCc3cccs3)n2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.40
NPC1 O15118 1/20 0.39
MAPK1 P28482 4/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 1/20 0.38
EGFR P00533 1/20 0.38
CYP1A2 P05177 6/20 0.37
CYP3A4 P08684 6/20 0.37
CYP2D6 P10635 6/20 0.37
CYP2C19 P33261 5/20 0.37
ALDH1A1 P00352 4/20 0.37
CLK4 Q9HAZ1 2/20 0.37
CYP2C9 P11712 2/20 0.37
ALOX15 P16050 2/20 0.37
HSD17B10 Q99714 2/20 0.37
KCNH3 Q9ULD8 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL13530511 0.89 NPC1 (0.44) TSHRNPC1MAPK1LMNAMAPT
SCHEMBL13530569 0.89 KCNH3 (0.46) TSHRMAPK1LMNAMAPTCYP1A2
SCHEMBL13530626 0.89 CLK4 (0.45) TSHRNPC1MAPK1LMNAMAPT
SCHEMBL13530513 0.88 NPC1 (0.43) TSHRNPC1MAPK1LMNAMAPT
SCHEMBL13530616 0.88 MAPK1 (0.42) TSHRNPC1MAPK1LMNAMAPT
SCHEMBL13530530 0.87 TSHR (0.43) TSHRMAPK1LMNAMAPTEGFR
SCHEMBL13530664 0.87 LMNA (0.41) TSHRNPC1MAPK1LMNAMAPT
SCHEMBL13530613 0.87 CYP1A2 (0.42) TSHRMAPK1LMNAMAPTCYP1A2
SCHEMBL13530597 0.86 ALDH1A1 (0.43) TSHRLMNAMAPTCYP1A2CYP3A4
SCHEMBL13530541 0.86 ALDH1A1 (0.51) TSHRNPC1MAPK1LMNAMAPT

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 6 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 TSHR 3010/4885NPC1 2157/4885MAPK1 3943/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 TSHR 3010/4885NPC1 2157/4885MAPK1 3943/4885

“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.