SCHEMBL461526

SCHEMBL461526

COC(=O)c1cn(Cc2c(F)cccc2F)nn1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.69
CYP2C19 P33261 1/20 0.60
ALDH1A1 P00352 2/20 0.58
LMNA P02545 2/20 0.58
KLKB1 P03952 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.48
HPGD P15428 1/20 0.48
CD74 P04233 1/20 0.45
MIF P14174 1/20 0.45
KDM1A O60341 1/20 0.44
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
MARK4 Q96L34 1/20 0.42

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
SCHEMBL8164538 0.88 CA5A (0.64) CA5ACYP2C19ALDH1A1LMNAKLKB1
SCHEMBL2594483 0.87 ALDH1A1 (0.67) CA5ACYP2C19ALDH1A1LMNAKLKB1
SCHEMBL8151152 0.86 CA5A (0.73) CA5ACYP2C19ALDH1A1LMNAKLKB1
SCHEMBL29113901 0.86 CYP2C19 (0.53) CA5ACYP2C19ALDH1A1LMNAKLKB1
SCHEMBL8157880 0.86 CA5A (0.68) CA5ACYP2C19ALDH1A1LMNAKLKB1
SCHEMBL6738882 0.85 CA5A (0.74) CA5ACYP2C19ALDH1A1LMNAKLKB1
SCHEMBL17283074 0.84 CYP2C19 (0.60) CA5ACYP2C19ALDH1A1LMNASMN1; SMN2
SCHEMBL15838648 0.84 CA5A (0.69) CA5ACYP2C19ALDH1A1LMNAKLKB1
SCHEMBL460913 0.83 CA5A (0.76) CA5ACYP2C19ALDH1A1LMNAKLKB1
SCHEMBL15838652 0.82 CA5A (0.75) CA5ACYP2C19ALDH1A1LMNAKLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2640711-B1 IMPROVED PROCESS FOR THE PREPARATION OF RUFINAMIDE DAVULURI RAMAMOHAN RAO (IN) 2015-10-14 EP claimed
US-8871945-B2 Process for preparation of rufinamide DAVULURI RAMAMOHAN RAO (US) 2014-10-28 US claimed
US-20130184469-A1 PROCESS FOR PREPARATION OF RUFINAMIDE DAVULURI RAMAMOHAN RAO (US) 2013-07-18 US claimed
US-8183269-B2 Process for the preparation of rufinamide CIPLA LIMITED (IN) 2012-05-22 US claimed
US-20110207938-A1 Process for the Preparation of Rufinamide CIPLA LIMITED (IN) 2011-08-25 US claimed
EP-2334653-A1 PROCESS FOR THE PREPARATION OF RUFINAMIDE Cilpa Limited (IN) 2011-06-22 EP claimed
WO-2010043849-A1 PROCESS FOR THE PREPARATION OF RUFINAMIDE CIPLA LIMITED (IN) 2010-04-22 WO claimed
CN-117105873-A Preparation method of rufeamide intermediate 宿州亿帆药业有限公司 2023-11-24 CN disclosed
CN-117050027-A Preparation method of rufeamide impurity reference substance 宿州亿帆药业有限公司 2023-11-14 CN disclosed
US-9771335-B2 Derivatives of rufinamide and their use in inhibtion of the activation of human voltage-gated sodium channels THE JOHNS HOPKINS UNIVERSITY (US) 2017-09-26 US disclosed
US-9771335-B2 Derivatives of rufinamide and their use in inhibtion of the activation of human voltage-gated sodium channels THE JOHNS HOPKINS UNIVERSITY (US) 2017-09-26 US disclosed
WO-2017023739-A1 DERIVATIVES OF RUFINAMIDE AND THEIR USE IN INHIBTION OF THE ACTIVATION OF HUMAN VOLTAGE-GATED SODIUM CHANNELS THE JOHNS HOPKINS UNIVERSITY (US) 2017-02-09 WO disclosed
US-20170029382-A1 DERIVATIVES OF RUFINAMIDE AND THEIR USE IN INHIBTION OF THE ACTIVATION OF HUMAN VOLTAGE-GATED SODIUM CHANNELS AES GLOBAL HOLDINGS, PTE. LTD. (SG) 2017-02-02 US disclosed
WO-2010043849-A1 PROCESS FOR THE PREPARATION OF RUFINAMIDE CIPLA LIMITED (IN) 2010-04-22 WO disclosed
US-20040167186-A1 Use of certain crystal modifications of 1-(2,6-difluorobenzyl)-1H-1,2,3-triazole-4-carboxamide in treating epilepsy PORTMANN ROBERT (CH) 2004-08-26 US disclosed
US-6740669-B1 VARYING SOLVENT AND/OR DURATION OF RECRYSTALLIZATION; RUFINAMIDE ORANGE BOOK LISTED PATENT NOVARTIS AG (CH) 2004-05-25 US disclosed
US-20030125568-A1 Crystal modifications of 1-(2,6-difluoro benzyl)-1H-1,2,3-triazole-4-carboxamide NOVARTIS PHARMA AG (CH) 2003-07-03 US disclosed
EP-0994863-B1 CRYSTAL MODIFICATION OF 1-(2,6-DIFLUOROBENZYL)-1H-1,2,3-TRIAZOLE-4-CARBOXAMIDE AND ITS USE AS ANTIEPILEPTIC NOVARTIS AG (CH) 2003-02-19 EP disclosed
EP-0994863-A1 CRYSTAL MODIFICATION OF 1-(2,6-DIFLUOROBENZYL)-1H-1,2,3-TRIAZOLE-4-CARBOXAMIDE AND ITS USE AS ANTIEPILEPTIC Novartis AG (CH) 2000-04-26 EP disclosed
WO-1998056772-A1 CRYSTAL MODIFICATION OF 1-(2,6-DIFLUOROBENZYL)-1H-1,2,3--TRIAZOLE-4-CARBOXAMIDE AND ITS USE AS ANTIEPILEPTIC NOVARTIS AG (CH) 1998-12-17 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 (5 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-20030125568-A1 Crystal modifications of 1-(2,6-difluoro benzyl)-1H-1,2,3-triazole-4-carboxamide CYP2F1, SULT2A1, CYP1B1 CA5A 88/4885CYP2C19 23/4885ALDH1A1 113/4885
US-20170029382-A1 DERIVATIVES OF RUFINAMIDE AND THEIR USE IN INHIBTION OF THE ACTIVATION OF HUMAN VOLTAGE-GATED SODIUM CHANNELS SCN1A, HVCN1, SCN1B CA5A 1974/4885CYP2C19 2904/4885ALDH1A1 616/4885
US-20040167186-A1 Use of certain crystal modifications of 1-(2,6-difluorobenzyl)-1H-1,2,3-triazole-4-carboxamide in treating epilepsy SCN1A, CYP2F1, CA3 CA5A 42/4885CYP2C19 78/4885ALDH1A1 311/4885
US-20110207938-A1 Process for the Preparation of Rufinamide AZI2, F13A1, RTN3 CA5A 2300/4885CYP2C19 239/4885ALDH1A1 323/4885
US-20130184469-A1 PROCESS FOR PREPARATION OF RUFINAMIDE CYP4F8, CYP3A4, CYP4F3 CA5A 1032/4885CYP2C19 64/4885ALDH1A1 539/4885

“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.