SCHEMBL13530343

SCHEMBL13530343

COc1ccc(CCOc2ncc(F)c(N)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.45
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
DCK P27707 2/20 0.42
MAOB P27338 2/20 0.42
ALDH1A1 P00352 3/20 0.41
CYP2D6 P10635 1/20 0.41
ATM Q13315 1/20 0.41
CSF1R P07333 1/20 0.40
NTRK2 Q16620 1/20 0.40
DHFR P00374 1/20 0.40
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
POLB P06746 1/20 0.39
ROCK1 Q13464 1/20 0.39

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
SCHEMBL13530090 0.93 TAAR1 (0.44) TAAR1ADORA2ADCKMAOBALDH1A1
SCHEMBL3360161 0.87 TAAR1 (0.43) TAAR1ADORA2AADORA2BMAOBDHFR
SCHEMBL13530436 0.86 NPC1 (0.49) DCKMAOBALDH1A1CYP2D6ATM
SCHEMBL13530081 0.83 ADORA2A (0.41) TAAR1ADORA2AADORA2BDCKMAOB
SCHEMBL13530651 0.83 PIN1 (0.48) ADORA2AADORA2BDCKCYP2D6
SCHEMBL13530264 0.80 DCK (0.52) DCKALDH1A1
SCHEMBL13530189 0.76 TAAR1 (0.48) TAAR1ADORA2AADORA2BDCKDHFR
SCHEMBL13764995 0.76 TLR7 (0.40) CYP2D6
SCHEMBL13529578 0.76 TLR7 (0.39) DCK
SCHEMBL9901124 0.75 ABCB1 (0.46) ALDH1A1CYP2D6

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-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
WO-2009094442-A2 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2009-07-30 WO 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 TAAR1 3699/4885ADORA2A 1018/4885ADORA2B 1737/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 TAAR1 3699/4885ADORA2A 1018/4885ADORA2B 1737/4885
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 TAAR1 3699/4885ADORA2A 1018/4885ADORA2B 1737/4885

“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.