SCHEMBL13530642

SCHEMBL13530642

Cc1ccc(COc2ncc(F)c(NCCc3ccccc3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.44
KCNH2 Q12809 1/20 0.44
GRIN2B Q13224 1/20 0.44
LMNA P02545 4/20 0.43
MAPT P10636 3/20 0.43
METAP2 P50579 1/20 0.42
METAP1 P53582 1/20 0.42
GBA1 P04062 1/20 0.42
ALDH1A1 P00352 5/20 0.40
TSHR P16473 4/20 0.40
CYP1A2 P05177 3/20 0.40
CYP2C9 P11712 3/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
HIF1A Q16665 1/20 0.40
USP2 O75604 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GALR3 O60755 1/20 0.39
KDM4E B2RXH2 2/20 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
SCHEMBL13530508 0.91 F2 (0.46) F2KCNH2GRIN2BLMNAMAPT
SCHEMBL13530612 0.88 BCHE (0.47) F2KCNH2GRIN2BLMNAMAPT
SCHEMBL13529561 0.87 CYP1A2 (0.41) GRIN2BLMNAALDH1A1TSHRCYP1A2
SCHEMBL13530419 0.83 KDM4E (0.42) MAPTALDH1A1KDM4EMAPK1MEN1
SCHEMBL13530444 0.83 AURKA (0.39) GRIN2BLMNAALDH1A1TSHRCYP1A2
SCHEMBL13530564 0.83 METAP1 (0.44) LMNAMAPTMETAP2METAP1GBA1
SCHEMBL13530473 0.82 MAOB (0.41) GRIN2BLMNAMAPTALDH1A1TSHR
SCHEMBL14921857 0.82 AURKA (0.51)
SCHEMBL13529259 0.82 AURKA (0.40) GRIN2BMAPTALDH1A1TSHRCYP1A2
SCHEMBL13530574 0.81 USP1 (0.47) LMNAMAPTALDH1A1HIF1ANPC1

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 F2 4367/4885KCNH2 3617/4885GRIN2B 1784/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 F2 4367/4885KCNH2 3617/4885GRIN2B 1784/4885
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 F2 4367/4885KCNH2 3617/4885GRIN2B 1784/4885

“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.