SCHEMBL805985

SCHEMBL805985

C=Cc1cc(C#N)nc(-c2ccc(Oc3ccc(F)cc3)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 11/20 0.60
HPGD P15428 6/20 0.48
KDM4E B2RXH2 6/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
ALDH1A1 P00352 4/20 0.48
SQOR Q9Y6N5 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
GLA P06280 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL805904 0.82 SCN9A (0.43) SCN9AHPGDKDM4EMEN1KMT2A
SCHEMBL805982 0.80 SCN9A (0.64) SCN9AHPGDKDM4EMEN1KMT2A
SCHEMBL10284278 0.78 SCN9A (0.53) SCN9AHPGDKDM4EMEN1KMT2A
SCHEMBL15383836 0.76 SCN9A (0.60) SCN9AHPGDKDM4EMEN1KMT2A
SCHEMBL805915 0.76 SCN9A (0.67) SCN9AHPGDKDM4EMEN1KMT2A
SCHEMBL10284142 0.76 SCN9A (0.61) SCN9AHPGDKDM4EMEN1KMT2A
SCHEMBL787725 0.75 SCN9A (1.00) SCN9A
SCHEMBL787549 0.75 SCN9A (1.00) SCN9A
SCHEMBL787548 0.75 SCN9A (1.00) SCN9A
SCHEMBL30391952 0.75 SCN9A (0.52) SCN9AHPGDKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9611222-B2 Pyridine compounds and the uses thereof PURDUE PHARMA L.P. (US) 2017-04-04 US disclosed
US-20150259293-A1 PYRIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. 2015-09-17 US disclosed
US-20150259293-A1 PYRIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. 2015-09-17 US disclosed
US-9056832-B2 Pyridine compounds and the users thereof PURDUE PHARMA L.P. (US) 2015-06-16 US 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
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 (2 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-20150259293-A1 PYRIDINE COMPOUNDS AND THE USES THEREOF TRPV1, CACNA1A, KCNA1 SCN9A 148/4885HPGD 840/4885KDM4E 1781/4885
US-20130303526-A1 Pyridine Compounds and the Uses Thereof TRPV1, CACNA1A, KCNA1 SCN9A 148/4885HPGD 840/4885KDM4E 1781/4885

“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.