SCHEMBL7245294

SCHEMBL7245294

Cn1nc(C(F)(F)F)cc1Oc1cc(C#N)cc(-c2cc(C(F)(F)F)nn2C)n1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 14/20 0.40
KMT2A Q03164 1/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
ALOX5 P09917 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL8475741 0.89 ADORA2A (0.46) SCN9AKMT2AADORA2AADORA1ALOX5
SCHEMBL7252609 0.83 KMT2A (0.46) SCN9AKMT2AADORA2AADORA1
SCHEMBL5221402 0.79 KMT2A (0.47) SCN9AKMT2AADORA2AADORA1
SCHEMBL7253229 0.78 GRM5 (0.42) SCN9AKMT2AALOX5PTGS1PTGS2
SCHEMBL7250243 0.78 ADORA2A (0.46) SCN9AKMT2AADORA2AADORA1ALOX5
SCHEMBL7077095 0.77 KMT2A (0.46) SCN9AKMT2AADORA2AADORA1
SCHEMBL8932322 0.77 KMT2A (0.44) SCN9AKMT2AADORA2AADORA1ALOX5
SCHEMBL6609513 0.76 KMT2A (0.38) SCN9AKMT2AADORA2AADORA1
SCHEMBL6610715 0.76 ADORA2A (0.39) SCN9AKMT2AADORA2AADORA1
SCHEMBL8479783 0.76 MMP13 (0.39) SCN9AKMT2AADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6528456-B2 Selectivity, desirable rate of degradation in soil BASF AKTIENGESELLSCHAFT (DE) 2003-03-04 US disclosed
US-20020137633-A1 Herbicidal 2-pyrazolyl-6-aryloxypyri(mi)dines BASF AKTIENEGESELLSCHAFT (DE) 2002-09-26 US disclosed
EP-1108720-A9 Herbicidal 2-Pyrazolyl-6-Aryloxy-Pyri(mi)dines BASF AKTIENGESELLSCHAFT (DE) 2001-10-31 EP disclosed
EP-1108720-A1 Herbicidal 2-Pyrazolyl-6-Aryloxy-Pyri(mi)dines BASF AKTIENGESELLSCHAFT (DE) 2001-06-20 EP 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-20020137633-A1 Herbicidal 2-pyrazolyl-6-aryloxypyri(mi)dines DDT, CYP4X1, PRDX6 SCN9A 2063/4885KMT2A 966/4885ADORA2A 2349/4885

“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.