SCHEMBL2869459

SCHEMBL2869459

Cc1cn(-c2ccc3sc(Cl)cc3c2)/c(=N/C(=O)N2CC[C@@H](F)C2)s1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.35
LPAR5 Q9H1C0 1/20 0.32
GRIN2B Q13224 1/20 0.32
HPGD P15428 1/20 0.32
MCHR1 Q99705 1/20 0.32
DPP4 P27487 1/20 0.30
DPP7 Q9UHL4 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
ATM Q13315 1/20 0.30
PDE4B Q07343 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
SCHEMBL2869461 1.00 CYP17A1 (0.35) CYP17A1LPAR5GRIN2BHPGDMCHR1
SCHEMBL4239316 0.86 LPAR5 (0.38) CYP17A1LPAR5DPP4DPP7NPC1
SCHEMBL4239318 0.86 LPAR5 (0.38) CYP17A1LPAR5DPP4DPP7NPC1
SCHEMBL4235120 0.85 NOTUM (0.37) GRIN2BHPGDDPP4DPP7NPC1
SCHEMBL2864897 0.85 PDE4B (0.39) LPAR5GRIN2BHPGDDPP4DPP7
SCHEMBL2864901 0.85 PDE4B (0.39) LPAR5GRIN2BHPGDDPP4DPP7
SCHEMBL4235124 0.85 NOTUM (0.37) GRIN2BHPGDDPP4DPP7NPC1
SCHEMBL2867987 0.85 RAB9A (0.36) DPP4DPP7NPC1RAB9A
SCHEMBL2867990 0.85 RAB9A (0.36) DPP4DPP7NPC1RAB9A
SCHEMBL4236056 0.84 DPP7 (0.40) GRIN2BHPGDDPP4DPP7

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 10 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
US-20090221648-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS ABBOTT LABORATORIES (US) 2009-09-03 US 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 CYP17A1 4881/4885LPAR5 905/4885GRIN2B 80/4885
US-20090221648-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS CHRNA4, CHRNA5, CHRNA3 CYP17A1 2390/4885LPAR5 131/4885GRIN2B 62/4885

“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.