SCHEMBL617699

SCHEMBL617699

O=C(O)c1cc2cccnc2n(-c2cccc(C(F)(F)F)c2)c1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.55
NOTUM Q6P988 1/20 0.52
PDE4B Q07343 1/20 0.50
PDE4D Q08499 1/20 0.50
ALDH1A1 P00352 4/20 0.48
HTT P42858 2/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 3/20 0.47
CYP1A2 P05177 2/20 0.47
MEN1 O00255 2/20 0.47
LMNA P02545 2/20 0.47
GMNN O75496 1/20 0.47
TTR P02766 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
PKM P14618 1/20 0.47
NFKB1 P19838 1/20 0.47
UGT1A1 P22309 1/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47

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
SCHEMBL1375742 0.84 MET (0.52) NOTUMPDE4BPDE4DALDH1A1TSHR
SCHEMBL10375042 0.83 TRPV1 (0.54) TRPV1NOTUMPDE4BPDE4DHTT
Hydrochloric Acid SCHEMBL1373870 0.82 MET (0.51) PDE4BPDE4DALDH1A1TSHRKMT2A
SCHEMBL10376010 0.81 TRPV1 (0.57) TRPV1PDE4BPDE4DHTTKMT2A
SCHEMBL7269291 0.81 TRPV1 (0.57) TRPV1NOTUMPDE4BPDE4DHTT
SCHEMBL9471194 0.81 TRPV1 (0.52) TRPV1NOTUMPDE4BPDE4DALDH1A1
SCHEMBL10375018 0.79 TRPV1 (0.54) TRPV1NOTUMPDE4BPDE4DHTT
SCHEMBL8690052 0.79 TRPV1 (0.48) TRPV1PDE4BPDE4DALDH1A1TSHR
SCHEMBL9471488 0.79 TRPV1 (0.50) TRPV1PDE4BPDE4DHTTKMT2A
SCHEMBL13441088 0.79 POLB (0.48) TRPV1NOTUMPDE4BPDE4DALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450243-B2 Herbicidal quinoline and 1,8-naphthyridine compounds SYNGENTA LIMITED (GB) 2013-05-28 US claimed
US-20120094833-A1 HERBICIDAL QUINOLINE AND 1,8 -NAPHTHYRIDINE COMPOUNDS SYNGENTA CROP PROTECTION, LLC (US) 2012-04-19 US claimed
US-8450243-B2 Herbicidal quinoline and 1,8-naphthyridine compounds SYNGENTA LIMITED (GB) 2013-05-28 US disclosed
EP-2417132-B1 HERBICIDAL QUINOLINE AND 1,8-NAPHTHYRIDINE COMPOUNDS SYNGENTA LTD (GB) 2013-04-17 EP disclosed
US-20120094833-A1 HERBICIDAL QUINOLINE AND 1,8 -NAPHTHYRIDINE COMPOUNDS SYNGENTA CROP PROTECTION, LLC (US) 2012-04-19 US disclosed
EP-2417132-A2 HERBICIDAL QUINOLINE AND 1,8-NAPHTHYRIDINE COMPOUNDS Syngenta Limited (GB) 2012-02-15 EP disclosed
WO-2010116122-A2 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2010-10-14 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 (1 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-20120094833-A1 HERBICIDAL QUINOLINE AND 1,8 -NAPHTHYRIDINE COMPOUNDS NQO2, QDPR, CYP4X1 TRPV1 2445/4885NOTUM 164/4885PDE4B 981/4885

“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.