SCHEMBL806027

SCHEMBL806027

COc1ccc(CNCc2cc(C#N)nc(-c3ccc(Oc4ccc(F)cc4)cc3)c2)c(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.54
APLNR P35414 1/20 0.49
SQOR Q9Y6N5 1/20 0.44
CACNA1G O43497 1/20 0.43
CACNA1B Q00975 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 3/20 0.42
TACR3 P29371 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL15383839 0.92 SCN9A (0.52) SCN9AAPLNRSQORCACNA1GCACNA1B
SCHEMBL806026 0.81 SCN9A (0.43) SCN9AAPLNRSQORKDM4EMAPT
SCHEMBL15383838 0.77 SCN9A (0.45) SCN9ASQORKDM4EMEN1KMT2A
SCHEMBL15383836 0.77 SCN9A (0.60) SCN9ASQORKDM4EMEN1KMT2A
SCHEMBL6418283 0.77 APLNR (0.73) APLNRMEN1KMT2A
SCHEMBL806028 0.76 SCN9A (0.68) SCN9ASQORKDM4EMEN1KMT2A
SCHEMBL805915 0.75 SCN9A (0.67) SCN9ASQORKDM4EMEN1KMT2A
SCHEMBL21236859 0.73 SCN9A (0.64) SCN9ASQORKDM4EMEN1KMT2A
SCHEMBL21236954 0.70 SCN9A (0.58) SCN9A
SCHEMBL10284266 0.70 SCN9A (0.66) SCN9A

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
EP-2616441-B1 PYRIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA LP (US) 2019-08-07 EP disclosed
US-9056832-B2 Pyridine compounds and the users thereof PURDUE PHARMA L.P. (US) 2015-06-16 US disclosed
US-20130303526-A1 Pyridine Compounds and the Uses Thereof PURDUE PHARMA L.P. (US) 2013-11-14 US disclosed
WO-2012035421-A2 PYRIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. (US) 2012-03-22 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-20130303526-A1 Pyridine Compounds and the Uses Thereof TRPV1, CACNA1A, KCNA1 SCN9A 148/4885APLNR 2060/4885SQOR 387/4885

“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.