Sugi Predict

Sugi Predict / Compounds / SCHEMBL460913

SCHEMBL460913

SCHEMBL460913

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

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA5A P35218 1/20 0.76
▸ CYP2C19 P33261 1/20 0.53
▸ KLKB1 P03952 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.51
▸ LMNA P02545 2/20 0.51
▸ DPP4 P27487 1/20 0.44
▸ PRSS12 P56730 1/20 0.43
▸ KDM1A O60341 1/20 0.42
▸ GRM2 Q14416 1/20 0.42
▸ HPGD P15428 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TGM2 P21980 2/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 1/20 0.38
▸ MARK4 Q96L34 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38

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
SCHEMBL9858008 0.90 CYP2C19 (0.65) CA5ACYP2C19KLKB1ALDH1A1LMNA
SCHEMBL460954 0.87 CA5A (0.74) CA5ACYP2C19KLKB1ALDH1A1LMNA
Rufinamide SCHEMBL230448 0.87 CA5A (1.00) CA5ACYP2C19KLKB1ALDH1A1LMNA
SCHEMBL6738882 0.87 CA5A (0.74) CA5ACYP2C19KLKB1ALDH1A1LMNA
Rufinamide SCHEMBL20769779 0.87 CA5A (1.00) CA5ACYP2C19KLKB1ALDH1A1LMNA
Rufinamide SCHEMBL17372728 0.85 CA5A (0.97) CA5ACYP2C19KLKB1ALDH1A1LMNA
SCHEMBL8157820 0.84 CA5A (0.71) CA5ACYP2C19KLKB1ALDH1A1LMNA
SCHEMBL15838652 0.84 CA5A (0.75) CA5ACYP2C19KLKB1ALDH1A1LMNA
SCHEMBL9858144 0.84 CA5A (0.55) CA5AALDH1A1LMNADPP4KDM1A
SCHEMBL461526 0.83 CA5A (0.69) CA5ACYP2C19KLKB1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118562565-A Stable semiconductor chip cleaning liquid and preparation method and application thereof 浙江奥首材料科技有限公司 2024-08-30 — — CN claimed
EP-2640711-B1 IMPROVED PROCESS FOR THE PREPARATION OF RUFINAMIDE DAVULURI RAMAMOHAN RAO (IN) 2015-10-14 — — EP claimed
EP-2563766-B1 IMPROVED PROCESS FOR PREPARING RUFINAMIDE INTERMEDIATE LESVI LABORATORIOS SL (ES) 2014-06-25 — — EP claimed
EP-2727914-A1 Polymorph of 1-(2,6-difluorobenzyl)-1h-1,2,3-triazole-carboxamide Laboratorios Lesvi, S.L. (ES) 2014-05-07 — — EP claimed
EP-2563766-A1 IMPROVED PROCESS FOR PREPARING RUFINAMIDE INTERMEDIATE Laboratorios Lesvi, S.L. (ES) 2013-03-06 — — EP claimed
US-20130045998-A1 PROCESS FOR PREPARING RUFINAMIDE INTERMEDIATE LABORATORIOS LESVI, S.L. (ES) 2013-02-21 — — US claimed
WO-2012032540-A1 PROCESS FOR PREPARATION OF FLUORINATED TRIAZOLE COMPOUND INDOCO REMEDIES LIMITED (IN) 2012-03-15 — — WO claimed
WO-2011135105-A1 IMPROVED PROCESS FOR PREPARING RUFINAMIDE INTERMEDIATE LABORATORIOS LESVI, S.L. (ES) 2011-11-03 — — WO claimed
CN-118562565-A Stable semiconductor chip cleaning liquid and preparation method and application thereof 浙江奥首材料科技有限公司 2024-08-30 — — CN disclosed
CN-117105873-A Preparation method of rufeamide intermediate 宿州亿帆药业有限公司 2023-11-24 — — CN disclosed
EP-3250563-B1 SUBSTITUTED TRIAZOLES AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2022-01-12 — — EP disclosed
US-11021449-B2 Substituted triazoles and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2021-06-01 — — US disclosed
US-20200399229-A1 SUBSTITUTED TRIAZOLES AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. 2020-12-24 — — US disclosed
CN-107406420-B Substituted triazoles and methods related thereto 纽罗克里生物科学有限公司 2020-11-06 — — CN 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
EP-0994864-A1 CRYSTAL MODIFICATION OF 1-(2,6-DIFLUOROBENZYL)-1H-1,2,3-TRIAZOLE-4-CARBOXAMIDE AND ITS USE AS ANTIEPILEPTIC Novartis-Erfindungen Verwaltungsgesellschaft m.b.H. (AT) 2000-04-26 — — EP disclosed
WO-1998056773-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
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
EP-0199262-B1 FLUORINATED BENZYL TRIAZOLE COMPOUNDS CIBA-GEIGY AG (CH) 1991-02-27 — — EP disclosed
US-4789680-A Aralkyltriazole compounds CIBA-GEIGY CORPORATION (US) 1988-12-06 — — 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-20130045998-A1 PROCESS FOR PREPARING RUFINAMIDE INTERMEDIATE CYP3A5, CYP3A4, CYP4B1 CA5A 69/4885CYP2C19 20/4885KLKB1 2827/4885
US-11021449-B2 Substituted triazoles and methods relating thereto CYP3A43, OTC, GRIN3A CA5A 575/4885CYP2C19 91/4885KLKB1 3091/4885
US-20200399229-A1 SUBSTITUTED TRIAZOLES AND METHODS RELATING THERETO CYP3A43, OTC, GRIN3A CA5A 575/4885CYP2C19 91/4885KLKB1 3091/4885

“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.