SCHEMBL4233386

SCHEMBL4233386

Cc1cn(-c2cccc(C#N)c2)c(=NC(=O)N2CC[C@@H](F)C2)s1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.41
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
HPGD P15428 1/20 0.34
CACNA2D1 P54289 1/20 0.34
USP30 Q70CQ3 2/20 0.33
CHRM4 P08173 1/20 0.33
ELANE P08246 2/20 0.33
MGLL Q99685 2/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
NPY5R Q15761 1/20 0.33

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
SCHEMBL4233382 1.00 NOTUM (0.41) NOTUMDPP4DPP8DPP9DPP7
SCHEMBL2867033 0.87 NOTUM (0.39) NOTUMHPGD
SCHEMBL2867035 0.87 NOTUM (0.39) NOTUMHPGD
SCHEMBL2869025 0.86 DPP4 (0.39) DPP4DPP8DPP9DPP7HPGD
SCHEMBL2869022 0.86 DPP4 (0.39) DPP4DPP8DPP9DPP7HPGD
SCHEMBL2844190 0.86 NOTUM (0.38) NOTUMDPP7HPGDMGLLDRD2
SCHEMBL2844188 0.86 NOTUM (0.38) NOTUMDPP7HPGDMGLLDRD2
SCHEMBL4226240 0.85 DPP4 (0.39) DPP4DPP8DPP9DPP7HPGD
SCHEMBL2859682 0.85 HPGD (0.36) DPP4DPP8DPP9DPP7HPGD
SCHEMBL2859679 0.85 HPGD (0.36) DPP4DPP8DPP9DPP7HPGD

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-8383657-B2 Thiazolylidine urea and amide derivatives and methods of use thereof ABBOTT LABORATORIES (US) 2013-02-26 US claimed
US-20090221648-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS ABBOTT LABORATORIES (US) 2009-09-03 US 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
US-20090221648-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS ABBOTT LABORATORIES (US) 2009-09-03 US 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 NOTUM 2423/4885DPP4 690/4885DPP8 636/4885
US-20090221648-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS CHRNA4, CHRNA5, CHRNA3 NOTUM 2175/4885DPP4 1647/4885DPP8 3147/4885

“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.