SCHEMBL2868091

SCHEMBL2868091

Cc1cn(-c2cnc3cc(Cl)ccc3n2)c(=NC(=O)C(C)(C)C)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.41
ALDH1A1 P00352 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 3/20 0.34
RAB9A P51151 2/20 0.34
KMT2A Q03164 3/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 2/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PPARA Q07869 2/20 0.32
THRB P10828 1/20 0.31
FGFR3 P22607 1/20 0.31
KDR P35968 1/20 0.31
PDE10A Q9Y233 1/20 0.31
CYP3A4 P08684 1/20 0.30
DYRK1A Q13627 1/20 0.30
FSCN1 Q16658 1/20 0.30
CASP3 P42574 1/20 0.30

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
SCHEMBL2868087 1.00 HRH4 (0.41) HRH4ALDH1A1NPSR1NPC1RAB9A
SCHEMBL2836309 0.86 ALDH1A1 (0.40) HRH4ALDH1A1NPSR1NPC1RAB9A
SCHEMBL2836306 0.86 ALDH1A1 (0.40) HRH4ALDH1A1NPSR1NPC1RAB9A
SCHEMBL2862534 0.82 ALDH1A1 (0.39) ALDH1A1NPSR1NPC1RAB9AKMT2A
SCHEMBL2862532 0.82 ALDH1A1 (0.39) ALDH1A1NPSR1NPC1RAB9AKMT2A
SCHEMBL2868263 0.76 ALDH1A1 (0.41) ALDH1A1NPSR1NPC1RAB9A
SCHEMBL2868260 0.76 ALDH1A1 (0.41) ALDH1A1NPSR1NPC1RAB9A
SCHEMBL2869911 0.75 ALDH1A1 (0.42) ALDH1A1NPSR1NPC1RAB9AKMT2A
SCHEMBL2869913 0.75 ALDH1A1 (0.42) ALDH1A1NPSR1NPC1RAB9AKMT2A
SCHEMBL2860276 0.74 ALDH1A1 (0.38) ALDH1A1NPSR1NPC1RAB9AKMT2A

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245020-B1 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF ABBVIE INC (US) 2014-01-15 EP claimed
EP-2245020-A2 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF Abbott Laboratories (US) 2010-11-03 EP claimed
US-20090221648-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS ABBOTT LABORATORIES (US) 2009-09-03 US claimed
WO-2009086163-A2 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-07-09 WO claimed
WO-2009082698-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS ABBOTT LABORATORIES (US) 2009-07-02 WO claimed
US-20090163470-A1 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-06-25 US claimed
EP-2245020-B1 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF ABBVIE INC (US) 2014-01-15 EP disclosed
US-8383657-B2 Thiazolylidine urea and amide derivatives and methods of use thereof ABBOTT LABORATORIES (US) 2013-02-26 US disclosed
EP-2245020-A2 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF Abbott Laboratories (US) 2010-11-03 EP disclosed
US-20090221648-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS ABBOTT LABORATORIES (US) 2009-09-03 US disclosed
WO-2009086163-A2 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-07-09 WO disclosed
WO-2009082698-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS ABBOTT LABORATORIES (US) 2009-07-02 WO disclosed
US-20090163470-A1 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-06-25 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 (2 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-20090163470-A1 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF NMUR1, NMUR2, PAM HRH4 311/4885ALDH1A1 2649/4885NPSR1 192/4885
US-20090221648-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS CHRNA4, CHRNA5, CHRNA3 HRH4 32/4885ALDH1A1 2032/4885NPSR1 153/4885

“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.