SCHEMBL4070446

SCHEMBL4070446

CNS(=O)(=O)c1cn(C)cn1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
KMT2A Q03164 5/20 0.53
TSHR P16473 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
GAA P10253 4/20 0.50
ALDH1A1 P00352 2/20 0.50
GLO1 Q04760 1/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 2/20 0.46
FBP1 P09467 1/20 0.44
HTR6 P50406 1/20 0.41
KAT5 Q92993 1/20 0.40
KAT8 Q9H7Z6 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PARP1 P09874 1/20 0.40

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
SCHEMBL289059 0.82 LMNA (0.54) LMNAKMT2ATSHRL3MBTL1GAA
SCHEMBL420412 0.82 LMNA (0.54) LMNAKMT2ATSHRL3MBTL1GAA
SCHEMBL5402595 0.79 LMNA (0.55) LMNAKMT2ATSHRL3MBTL1GAA
SCHEMBL7921928 0.79 LMNA (0.51) LMNAKMT2ATSHRL3MBTL1GAA
SCHEMBL13892301 0.79 LMNA (0.63) LMNAKMT2ATSHRL3MBTL1GAA
SCHEMBL19350976 0.78 LMNA (0.50) LMNAKMT2ATSHRL3MBTL1GAA
SCHEMBL6427335 0.78 LMNA (0.54) LMNAKMT2ATSHRL3MBTL1GAA
SCHEMBL6098517 0.78 LMNA (0.61) LMNAKMT2ATSHRL3MBTL1GAA
SCHEMBL19341773 0.78 LMNA (0.47) LMNAKMT2ATSHRL3MBTL1GAA
SCHEMBL13196349 0.78 LMNA (0.49) LMNAKMT2ATSHRL3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022178544-A1 NOVEL HETEROCYCLIC COMPOUNDS AND RELATED METHODS OF MANUFACTURE AND USE IN HDAC INHIBITION KLOTHO THERAPEUTICS, INC. (US) 2022-08-25 WO claimed
US-20070032518-A1 Compounds and methods of use AMGEN INC. (US) 2007-02-08 US claimed
US-6822097-B1 THIAZOLE-SUBSTITUTED QUINOLINE DERIVATIVES; ANTICARCINOGENIC AGENTS, ANTISTROKE AGENTS; APOPTOSIS AND CELL PROLIFERATION TREATMENT; NERVOUS SYSTEM DISORDERS AMGEN, INC. 2004-11-23 US claimed
WO-2022178544-A1 NOVEL HETEROCYCLIC COMPOUNDS AND RELATED METHODS OF MANUFACTURE AND USE IN HDAC INHIBITION KLOTHO THERAPEUTICS, INC. (US) 2022-08-25 WO disclosed
US-20170233371-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2017-08-17 US disclosed
US-20160046597-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER (US) 2016-02-18 US disclosed
US-9199959-B2 HIV replication inhibitor SHIONOGI & CO., LTD. (JP) 2015-12-01 US disclosed
US-20140249306-A1 HIV REPLICATION INHIBITOR SHIONOGI & CO., LTD. (JP) 2014-09-04 US disclosed
US-8350034-B2 Substituted chiral fused [1,2]imidazo[4,5-C] ring compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-01-08 US disclosed
US-8350034-B2 Substituted chiral fused [1,2]imidazo[4,5-C] ring compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-01-08 US disclosed
EP-1831221-B1 SUBSTITUTED CHIRAL FUSED 1,2 IMIDAZO 4,5-C RING COMPOUNDS 3M INNOVATIVE PROPERTIES CO (US) 2012-08-08 EP disclosed
US-20080085895-A1 Substituted Chiral Fused [1,2]Imidazo[4,5-C] Ring Compounds 3M INNOVATIVE PROPERTIES COMPANY 2008-04-10 US disclosed
US-20080038225-A1 TRIAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-02-14 US disclosed
EP-1490371-B1 THIOPHENE-BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL MYERS SQUIBB CO (US) 2007-08-15 EP disclosed
US-7214698-B2 Beta-agonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-05-08 US disclosed
US-20070032518-A1 Compounds and methods of use AMGEN INC. (US) 2007-02-08 US disclosed
US-20050176718-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors ANTHONY NEVILLE J (US) 2005-08-11 US disclosed
US-6921759-B2 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2005-07-26 US disclosed
US-6822097-B1 THIAZOLE-SUBSTITUTED QUINOLINE DERIVATIVES; ANTICARCINOGENIC AGENTS, ANTISTROKE AGENTS; APOPTOSIS AND CELL PROLIFERATION TREATMENT; NERVOUS SYSTEM DISORDERS AMGEN, INC. 2004-11-23 US disclosed
US-20030055071-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors MERCK SHARP & DOHME CORP. 2003-03-20 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 (8 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-20080038225-A1 TRIAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, SPINT2, CTSC LMNA 2271/4885KMT2A 2796/4885TSHR 4571/4885
US-20160046597-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA LMNA 3310/4885KMT2A 1687/4885TSHR 1220/4885
US-20070032518-A1 Compounds and methods of use BAX, BAD, CASP3 LMNA 624/4885KMT2A 4319/4885TSHR 3913/4885
US-20030055071-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors POLI, DUT, NAAA LMNA 1649/4885KMT2A 61/4885TSHR 4788/4885
US-20050176718-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors POLI, DUT, NAAA LMNA 1649/4885KMT2A 61/4885TSHR 4788/4885
US-20140249306-A1 HIV REPLICATION INHIBITOR SSU72, RTF2, ZC3HAV1 LMNA 1920/4885KMT2A 1254/4885TSHR 4140/4885
US-20170233371-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA LMNA 3310/4885KMT2A 1687/4885TSHR 1220/4885
US-20080085895-A1 Substituted Chiral Fused [1,2]Imidazo[4,5-C] Ring Compounds IFNG, IL4, IFNAR1 LMNA 4409/4885KMT2A 1387/4885TSHR 78/4885

“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.