SCHEMBL805874

SCHEMBL805874

CC(=S)Nc1cccnc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.57
TAS2R38 P59533 1/20 0.57
KDM4E B2RXH2 3/20 0.56
MAPT P10636 2/20 0.56
KMT2A Q03164 2/20 0.56
ATG4B Q9Y4P1 1/20 0.56
ALDH1A1 P00352 3/20 0.55
HPGD P15428 1/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
PKM P14618 2/20 0.55
HTT P42858 2/20 0.54
GAA P10253 1/20 0.54
THRB P10828 1/20 0.54
RECQL P46063 1/20 0.54
HIF1A Q16665 1/20 0.53

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
SCHEMBL29972743 0.84 ALDH1A1 (0.57) LMNATAS2R38KDM4EMAPTKMT2A
SCHEMBL525722 0.84 ALDH1A1 (0.57) LMNATAS2R38KDM4EMAPTKMT2A
SCHEMBL15510403 0.83 MAPT (0.74) LMNAKDM4EMAPTKMT2AALDH1A1
SCHEMBL14031230 0.81 MAPT (0.61) KDM4EMAPTKMT2AALDH1A1HPGD
SCHEMBL15381295 0.80 LMNA (0.57) LMNAKDM4EKMT2AALDH1A1NPC1
SCHEMBL12447388 0.80 LMNA (0.57) LMNAKDM4EKMT2AALDH1A1NPC1
SCHEMBL29602550 0.80 RAB9A (0.65) LMNAKDM4EKMT2AALDH1A1NPC1
SCHEMBL13943540 0.80 LMNA (0.67) LMNAKDM4EKMT2AATG4BALDH1A1
SCHEMBL1465824 0.80 ATG4B (0.56) LMNAKDM4EMAPTKMT2AATG4B
SCHEMBL49506 0.80 RAB9A (0.65) LMNAKDM4EKMT2AALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180222906-A1 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY 2018-08-09 US disclosed
US-9938275-B2 Substituted imidazoquinolines, imidazopyridines, and imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-04-10 US disclosed
US-9745335-B2 N-substituted second generation derivatives of antifungal antibiotic amphotericin B and methods of their preparation and application BLIRT S.A. (PL) 2017-08-29 US disclosed
US-20170129891-A1 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES CO (US) 2017-05-11 US disclosed
US-9550773-B2 Substituted imidazoquinolines, imidazopyridines, and imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2017-01-24 US disclosed
EP-1696912-B1 PYRAZOLOPYRIDINES AND ANALOGS THEREOF 3M INNOVATIVE PROPERTIES CO (US) 2016-05-11 EP disclosed
US-20150291648-A1 N-SUBSTITUTED SECOND GENERATION DERIVATIVES OF ANTIFUNGAL ANTIBIOTIC AMPHOTERICIN B AND METHODS OF THEIR PREPARATION AND APPLICATION BLIRT S.A. (PL) 2015-10-15 US disclosed
US-9145410-B2 Pyrazolopyridines and analogs thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-09-29 US disclosed
US-9145410-B2 Pyrazolopyridines and analogs thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-09-29 US disclosed
US-20150218162-A1 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY 2015-08-06 US disclosed
US-20080015184-A1 Urea Substituted Imidazopyridines, Imidazoquinolines, and Imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-01-17 US disclosed
US-20080015184-A1 Urea Substituted Imidazopyridines, Imidazoquinolines, and Imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-01-17 US disclosed
US-20070287724-A1 Substituted Imidazoquinolines, Imidazopyridines, and Imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-12-13 US disclosed
US-20070287724-A1 Substituted Imidazoquinolines, Imidazopyridines, and Imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-12-13 US disclosed
US-20070167476-A1 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds 3M INNOVATIVE PROPERTIES COMPANY 2007-07-19 US disclosed
US-20070167476-A1 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds 3M INNOVATIVE PROPERTIES COMPANY 2007-07-19 US disclosed
WO-2007056112-A2 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2007-05-18 WO disclosed
US-20050043381-A1 Aminopyrazole compounds AGOURON PHARMACEUTICALS, INC. 2005-02-24 US disclosed
WO-2005009435-A1 AMINOPYRAZOLE COMPOUNDS AND USE AS CHK1 INHIBITORS PFIZER INC. (US) 2005-02-03 WO disclosed
WO-2005007621-A2 UBIQUITIN LIGASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2005-01-27 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 (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-20180222906-A1 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES IL2, IFNG, IL4 LMNA 3602/4885TAS2R38 3934/4885KDM4E 3854/4885
US-20070167476-A1 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds IL4, IL2, IL5 LMNA 3919/4885TAS2R38 3780/4885KDM4E 1854/4885
US-20150291648-A1 N-SUBSTITUTED SECOND GENERATION DERIVATIVES OF ANTIFUNGAL ANTIBIOTIC AMPHOTERICIN B AND METHODS OF THEIR PREPARATION AND APPLICATION ERG28, LSS, NPC1 LMNA 741/4885TAS2R38 3446/4885KDM4E 4356/4885
US-20080015184-A1 Urea Substituted Imidazopyridines, Imidazoquinolines, and Imidazonaphthyridines IL2, EIF2AK2, IL4 LMNA 3978/4885TAS2R38 2938/4885KDM4E 2439/4885
US-20070287724-A1 Substituted Imidazoquinolines, Imidazopyridines, and Imidazonaphthyridines IL2, IFNG, IL4 LMNA 3763/4885TAS2R38 3602/4885KDM4E 3700/4885
US-20050043381-A1 Aminopyrazole compounds CDK1, CDK3, BUB1B LMNA 1384/4885TAS2R38 3730/4885KDM4E 958/4885
US-20150218162-A1 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES IL2, IFNG, IL4 LMNA 3602/4885TAS2R38 3934/4885KDM4E 3854/4885
US-20170129891-A1 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES IL2, IFNG, IL4 LMNA 3602/4885TAS2R38 3934/4885KDM4E 3854/4885

“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.