SCHEMBL14474331

SCHEMBL14474331

Cc1cncc(OCCCF)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
CHRNB2 P17787 3/20 0.43
CHRNA4 P43681 2/20 0.43
CHRNB1 P11230 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNB3 Q05901 1/20 0.43
AKT1 P31749 1/20 0.39
DYRK3 O43781 1/20 0.39
ROCK2 O75116 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
PIM1 P11309 1/20 0.39
PRKACA P17612 1/20 0.39
RPS6KB1 P23443 1/20 0.39
CLK2 P49760 1/20 0.39
PRKX P51817 1/20 0.39
ROCK1 Q13464 1/20 0.39
DYRK1A Q13627 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
SCHEMBL10174186 0.91 CHRNB2 (0.44) CYP11B1CYP11B2CHRNB2CHRNA4CHRNB1
SCHEMBL14473815 0.83 CYP2D6 (0.46) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL14300735 0.82 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL13188520 0.81 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL14473817 0.81 CHRNB2 (0.45) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL17614045 0.79 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL11918316 0.79 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL12017395 0.79 CHRNB2 (0.48) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL31392993 0.78 CYP11B1 (0.45) CYP11B1CYP11B2CHRNB2CHRNA4AKT1
SCHEMBL31393027 0.78 CYP11B1 (0.45) CYP11B1CYP11B2CHRNB2CHRNA4AKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2723744-B1 1-ARYL-4-METHYL-[1,2,4]TRIAZOLO[4,3-a]QUINOXALINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2016-03-23 EP disclosed
US-20140147386-A1 1-ARYL-4-METHYL-[1,2,4]TRIAZOLO[4,3-a]QUINOXALINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2014-05-29 US disclosed
WO-2013000924-A1 1-ARYL-4-METHYL-[1,2,4]TRIAZOLO[4,3-a]QUINOXALINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2013-01-03 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-20140147386-A1 1-ARYL-4-METHYL-[1,2,4]TRIAZOLO[4,3-a]QUINOXALINE DERIVATIVES PDE2A, PDE12, PDE5A CYP11B1 178/4885CYP11B2 88/4885CHRNB2 460/4885

“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.