SCHEMBL13530252

SCHEMBL13530252

CCN(CC)c1nc(OCc2ccc(C)cc2)ncc1F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RXRA P19793 9/20 0.37
GRIN1 Q05586 8/20 0.37
GRIN2B Q13224 8/20 0.37
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 2/20 0.35
USP2 O75604 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
MPO P05164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAOB P27338 2/20 0.33
AGXT P21549 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ACACB O00763 1/20 0.32

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
SCHEMBL13530158 0.90 ALDH1A1 (0.40) MEN1KMT2AALDH1A1CYP1A2USP2
SCHEMBL13530338 0.88 CYP1A2 (0.42) MEN1KMT2AALDH1A1CYP1A2USP2
SCHEMBL13529870 0.86 RXRA (0.40) RXRAGRIN1GRIN2BALDH1A1CYP1A2
SCHEMBL13529719 0.84 MPO (0.37) RXRAGRIN1GRIN2BALDH1A1CYP1A2
SCHEMBL17011542 0.83 ALDH1A1 (0.38) MEN1KMT2AALDH1A1CYP1A2USP2
SCHEMBL13530468 0.81 ALKBH1 (0.40) RXRAGRIN1GRIN2B
SCHEMBL17011515 0.81 CYP1A2 (0.35) MEN1KMT2ARXRAGRIN1GRIN2B
SCHEMBL17012553 0.80 RXRA (0.49) RXRAGRIN1GRIN2BALDH1A1CYP1A2
SCHEMBL13529439 0.79 CYP1A2 (0.39) MEN1KMT2ARXRAGRIN1GRIN2B
SCHEMBL13730293 0.78 MAOB (0.46) ALDH1A1CYP1A2CYP3A4CYP2C9TSHR

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 MEN1 3460/4885KMT2A 3037/4885RXRA 2187/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 MEN1 3460/4885KMT2A 3037/4885RXRA 2187/4885
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 MEN1 3460/4885KMT2A 3037/4885RXRA 2187/4885

“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.