SCHEMBL134958

SCHEMBL134958

Nc1nc(N2CCNCC2)ncc1-c1cc(Cl)cc(Cl)c1Cl

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 2/20 0.74
KCNK2 O95069 1/20 0.74
PTPN11 Q06124 10/20 0.53
SCN9A Q15858 3/20 0.52
ROCK2 O75116 2/20 0.41
ROCK1 Q13464 1/20 0.41
BCL6 P41182 1/20 0.39
HRH4 Q9H3N8 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
Sipatrigine SCHEMBL29421474 0.85 SCN2A (1.00) SCN2AKCNK2PTPN11HRH4
SCHEMBL8576787 0.85 SCN2A (0.74) SCN2AKCNK2PTPN11
Sipatrigine SCHEMBL135888 0.85 SCN2A (1.00) SCN2AKCNK2PTPN11HRH4
SCHEMBL7280623 0.82 SCN2A (0.73) SCN2AKCNK2PTPN11SCN9A
SCHEMBL7272688 0.82 SCN2A (0.77) SCN2AKCNK2PTPN11SCN9A
SCHEMBL7273370 0.82 SCN2A (0.77) SCN2AKCNK2PTPN11SCN9A
SCHEMBL7286933 0.81 SCN2A (0.71) SCN2AKCNK2PTPN11SCN9A
SCHEMBL132945 0.80 SCN2A (0.77) SCN2AKCNK2PTPN11SCN9A
SCHEMBL7272635 0.80 PTPN11 (0.72) SCN2AKCNK2PTPN11SCN9ABCL6
SCHEMBL7271253 0.78 KCNK2 (0.67) SCN2AKCNK2PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040229873-A1 Treatment of neurodegenerative conditions BTG INTERNATIONAL LIMITED (GB) 2004-11-18 US claimed
US-20140079757-A1 ORAL DRUG DELIVERY FORMULATIONS BROWN RUDNICK LLP 2014-03-20 US disclosed
WO-2012028963-A2 COMPOSITIONS INCLUDING A SODIUM CHANNEL BLOCKER AND A B VITAMIN MOLECULE AND METHODS OF USE THEREOF MS THERAPEUTICS LIMITED (GB) 2012-03-08 WO disclosed
US-20120058097-A1 COMPOSITIONS INCLUDING A SODIUM CHANNEL BLOCKER AND A B VITAMIN MOLECULE AND METHODS OF USE THEREOF MS THERAPEUTICS LIMITED (GB) 2012-03-08 US disclosed
US-20040229873-A1 Treatment of neurodegenerative conditions BTG INTERNATIONAL LIMITED (GB) 2004-11-18 US 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 (3 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-20120058097-A1 COMPOSITIONS INCLUDING A SODIUM CHANNEL BLOCKER AND A B VITAMIN MOLECULE AND METHODS OF USE THEREOF CACNA1B, KCNMB1, KCNB2 SCN2A 25/4885KCNK2 103/4885PTPN11 3117/4885
US-20040229873-A1 Treatment of neurodegenerative conditions CHRM2, CHRNA3, CHRNA2 SCN2A 63/4885KCNK2 136/4885PTPN11 4876/4885
US-20140079757-A1 ORAL DRUG DELIVERY FORMULATIONS PGF, MMP1, MMP26 SCN2A 4830/4885KCNK2 3641/4885PTPN11 4853/4885

“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.