SCHEMBL21369

SCHEMBL21369

N#Cc1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.48
PAX8 Q06710 1/20 0.46
MAPT P10636 4/20 0.44
LMNA P02545 3/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
NLRP3 Q96P20 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
KDM4E B2RXH2 3/20 0.43
RAB9A P51151 2/20 0.43
SAE1 Q9UBE0 1/20 0.43
UBA2 Q9UBT2 1/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
IL18 Q14116 1/20 0.43

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
SCHEMBL13770863 0.86 MAPT (0.42) EPHX1MAPTLMNAMEN1KMT2A
SCHEMBL8953567 0.78 GSK3B (0.51) PAX8KDM4ERAB9AEPHX2NPC1
SCHEMBL9819214 0.78 GSK3B (0.51) MAPTLMNATSHRHTTNLRP3
SCHEMBL7180799 0.74 IDO1 (0.40) LMNATSHRHTTPOLBMAPK1
SCHEMBL20941781 0.73 MAPT (0.56) EPHX1MAPTLMNATSHRHTT
SCHEMBL9638528 0.73
SCHEMBL9819207 0.72 GSK3B (0.49) MAPTLMNATSHRHTTNLRP3
SCHEMBL9204753 0.72 CHRNB2 (0.44) MAPTMEN1KMT2AKDM4E
SCHEMBL20941550 0.72 MAPT (0.54) MAPTLMNATSHRHTTNLRP3
SCHEMBL20941782 0.72 MAPT (0.54) EPHX1MAPTLMNATSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2685983-B1 NOVEL USE OF IMIDAZOTRIAZINONES ALGIAX PHARMACEUTICALS GMBH (DE) 2016-05-18 EP claimed
US-20140057978-A1 NOVEL USE OF BENZOFURANYLSULFONATES ALGIAX PHARMACEUTICALS GMBH (DE) 2014-02-27 US claimed
US-20140038967-A1 NOVEL USE FOR IMIDAZOTRIAZINONES ALGIAX PHARMACEUTICALS GMBH (DE) 2014-02-06 US claimed
EP-2685983-A1 NOVEL USE OF IMIDAZOTRIAZINONES Algiax Pharmaceuticals GmbH (DE) 2014-01-22 EP claimed
EP-2685975-A1 NOVEL USE OF BENZOFURANYLSULFONATES Algiax Pharmaceuticals GmbH (DE) 2014-01-22 EP claimed
US-20130274301-A1 Novel Use of Leflunomide and Malononitrilamides AL-GIAX PHARMACEUTICALS GMBH (DE) 2013-10-17 US claimed
EP-2608782-A1 NOVEL USE OF LEFLUNOMIDE AND MALONONITRILAMIDES Algiax Pharmaceuticals GmbH (DE) 2013-07-03 EP claimed
WO-2012123353-A1 NOVEL USE OF BENZOFURANYLSULFONATES ALGIAX PHARMACEUTICALS GMBH (DE) 2012-09-20 WO claimed
WO-2012123406-A1 NOVEL USE OF IMIDAZOTRIAZINONES ALGIAX PHARMACEUTICALS GMBH (DE) 2012-09-20 WO claimed
WO-2012025217-A1 NOVEL USE OF LEFLUNOMIDE AND MALONONITRILAMIDES ALGIAX PHARMACEUTICALS GMBH (DE) 2012-03-01 WO claimed
EP-0787491-B1 PREVENTIVE AND REMEDY FOR TYPE I ALLERGIC DISEASES AVENTIS PHARMA LTD (JP) 2000-07-26 EP claimed
US-5814649-A ALLERGIC DISEASES AND TREATMENT WITH AROMATIC AMIDES WITH IMMUNOGLOBULIN INHIBITORS HOECHST PHARMACEUTICALS & CHEMICALS K.K. (JP) 1998-09-29 US claimed
EP-0787491-A1 PREVENTIVE AND REMEDY FOR TYPE I ALLERGIC DISEASES HOECHST JAPAN LIMITED (JP) 1997-08-06 EP claimed
US-20260001873-A1 NOVEL INHIBITORS VIVORYON THERAPEUTICS N.V. (DE) 2026-01-01 US disclosed
US-12409191-B2 Renal cell populations and uses thereof PROKIDNEY (KY) 2025-09-09 US disclosed
US-12384772-B2 Inhibitors VIVORYON THERAPEUTICS N.V. (DE) 2025-08-12 US disclosed
US-20050043386-A1 Amino alcohol derivatives or phosphonic acid derivatives and pharmaceutical compositions containing these SANKYO COMPANY, LIMITED (JP) 2005-02-24 US disclosed
EP-1471054-A1 AMINO ALCOHOL DERIVATIVE OR PHOSPHONIC ACID DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THESE Sankyo Company, Limited (JP) 2004-10-27 EP disclosed
EP-0787491-B1 PREVENTIVE AND REMEDY FOR TYPE I ALLERGIC DISEASES AVENTIS PHARMA LTD (JP) 2000-07-26 EP disclosed
EP-0787491-A1 PREVENTIVE AND REMEDY FOR TYPE I ALLERGIC DISEASES HOECHST JAPAN LIMITED (JP) 1997-08-06 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 (6 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-20260001873-A1 NOVEL INHIBITORS GLS, GLS2, SULT1E1 EPHX1 3262/4885PAX8 2523/4885MAPT 3890/4885
US-20140038967-A1 NOVEL USE FOR IMIDAZOTRIAZINONES ATP6V1B2, INA, CAMK2B EPHX1 2098/4885PAX8 2601/4885MAPT 496/4885
US-20050043386-A1 Amino alcohol derivatives or phosphonic acid derivatives and pharmaceutical compositions containing these PHOSPHO1, CD4, FCGRT EPHX1 2839/4885PAX8 2528/4885MAPT 3715/4885
US-20130274301-A1 Novel Use of Leflunomide and Malononitrilamides LEF1, TPMT, MALT1 EPHX1 1130/4885PAX8 360/4885MAPT 2343/4885
US-20140057978-A1 NOVEL USE OF BENZOFURANYLSULFONATES ATP6V1B2, PMP22, KIT EPHX1 1338/4885PAX8 1061/4885MAPT 1142/4885
US-12384772-B2 Inhibitors GLS, QPCT, GLS2 EPHX1 3367/4885PAX8 2815/4885MAPT 1850/4885

“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.