SCHEMBL170312

SCHEMBL170312

Nc1nc(N)c(-c2cc(Cl)cc(Cl)c2Cl)c(C(F)(F)F)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 5/20 0.43
SCN9A Q15858 3/20 0.36
SCN3A Q9NY46 3/20 0.36
SCN10A Q9Y5Y9 3/20 0.36
KCNH2 Q12809 2/20 0.36
SCN1A P35498 1/20 0.36
SCN5A Q14524 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 2/20 0.35
NPC1 O15118 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
KCNK2 O95069 1/20 0.35
HTR2B P41595 2/20 0.35
PDE4D Q08499 2/20 0.35
HEXA P06865 3/20 0.35
HEXB P07686 3/20 0.35
ALDH1A1 P00352 2/20 0.34

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
SCHEMBL6049581 0.86 SCN2A (0.44) SCN2ASCN9ASCN3ASCN10AKCNH2
SCHEMBL5070888 0.84 HSP90AA1 (0.48) SMN1; SMN2KDM4EHSD17B10NPC1ALOX15
SCHEMBL6049467 0.84 HTR2B (0.51) SCN10AKCNH2SMN1; SMN2KDM4EHSD17B10
SCHEMBL6049502 0.82 SCN2A (0.39) SCN2ASCN9ASCN3ASCN10AKCNH2
SCHEMBL5070759 0.81 SCN9A (0.50) SCN2ASCN9ASCN3ASCN10ASCN5A
Hydrochloric Acid SCHEMBL5070910 0.79 SCN9A (0.49) SCN2ASCN9ASCN3ASCN10ASCN5A
SCHEMBL7387066 0.78 SCN2A (0.49) SCN2ASCN9ASCN3ASCN10AKCNH2
SCHEMBL7272544 0.78 ALDH1A1 (0.41) KCNH2SMN1; SMN2KDM4EHSD17B10HTR2B
SCHEMBL5070133 0.76 SCN2A (0.46) SCN2ASCN9ASCN3ASCN10AKCNH2
SCHEMBL8842601 0.76 PIK3CA (0.46) SCN2AKDM4EHSD17B10KCNK2ALDH1A1

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1681058-A2 Pharmacologically active cns compounds THE WELLCOME FOUNDATION LIMITED (GB) 2006-07-19 EP claimed
US-20040229873-A1 Treatment of neurodegenerative conditions BTG INTERNATIONAL LIMITED (GB) 2004-11-18 US claimed
US-5587380-A ANTIISCHEMIC AGENTS GLAXO WELLCOME INC. (US) 1996-12-24 US claimed
EP-0727214-A2 Substituted phenylpyrimidine derivatives, useful in the treatment or prevention of CNS disorders THE WELLCOME FOUNDATION LIMITED (GB) 1996-08-21 EP claimed
EP-0727213-A2 Substituted phenylpyrimidine derivatives, useful in the treatment or prevention of CNS disorders THE WELLCOME FOUNDATION LIMITED (GB) 1996-08-21 EP claimed
EP-0727212-A2 Substituted phenylpyrimidine derivatives, useful in the treatment of prevention of CNS disorders THE WELLCOME FOUNDATION LIMITED (GB) 1996-08-21 EP claimed
EP-0715851-A2 Substituted phenylpyrimidine derivatives, useful in the treatment of prevention of CNS disorders THE WELLCOME FOUNDATION LIMITED (GB) 1996-06-12 EP claimed
EP-0713703-A2 Substituted phenylpyrimidine derivatives, useful in the treatment or prevention of CNS disorders THE WELLCOME FOUNDATION LIMITED (GB) 1996-05-29 EP claimed
CN-1052306-A Compounds having pharmacological activity on the central nervous system WELLCOME FOUND (GB) 1991-06-19 CN claimed
EP-0372934-A2 Pharmacologically active CNS compounds THE WELLCOME FOUNDATION LIMITED (GB) 1990-06-13 EP 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
EP-1325916-B1 Piperazinyl-substituted phenyl pyrimidine derivatives useful in the treatment or prevention of disorders of the central nervous system WELLCOME FOUND (GB) 2008-01-23 EP disclosed
EP-1681058-A2 Pharmacologically active cns compounds THE WELLCOME FOUNDATION LIMITED (GB) 2006-07-19 EP disclosed
EP-0715851-A2 Substituted phenylpyrimidine derivatives, useful in the treatment of prevention of CNS disorders THE WELLCOME FOUNDATION LIMITED (GB) 1996-06-12 EP disclosed
EP-0713703-A2 Substituted phenylpyrimidine derivatives, useful in the treatment or prevention of CNS disorders THE WELLCOME FOUNDATION LIMITED (GB) 1996-05-29 EP disclosed
CN-1117046-A Method for preparing pharmaceutically active CNS compounds WELLCOME FOUND (GB) 1996-02-21 CN disclosed
US-5136080-A Intermediates for glutamate inhibitors BURROUGHS WELLCOME CO. (US) 1992-08-04 US disclosed
EP-0372934-A2 Pharmacologically active CNS compounds THE WELLCOME FOUNDATION LIMITED (GB) 1990-06-13 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 (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 25/4885SCN9A 38/4885SCN3A 31/4885
US-20040229873-A1 Treatment of neurodegenerative conditions CHRM2, CHRNA3, CHRNA2 SCN2A 63/4885SCN9A 230/4885SCN3A 33/4885
US-20140079757-A1 ORAL DRUG DELIVERY FORMULATIONS PGF, MMP1, MMP26 SCN2A 4830/4885SCN9A 4498/4885SCN3A 4867/4885

“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.