SCHEMBL4226240

SCHEMBL4226240

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.39
DPP7 Q9UHL4 7/20 0.36
HPGD P15428 1/20 0.36
DPP8 Q6V1X1 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LPAR5 Q9H1C0 1/20 0.33
L3MBTL3 Q96JM7 4/20 0.32
HSD11B1 P28845 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
L3MBTL4 Q8NA19 1/20 0.32
KCNH2 Q12809 1/20 0.32
DPP9 Q86TI2 1/20 0.32
MBTD1 Q05BQ5 1/20 0.32

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
SCHEMBL4226234 1.00 DPP4 (0.39) DPP4DPP7HPGDDPP8NPC1
SCHEMBL2867033 0.90 NOTUM (0.39) HPGDNPC1RAB9ALPAR5HSD11B1
SCHEMBL2867035 0.90 NOTUM (0.39) HPGDNPC1RAB9ALPAR5HSD11B1
SCHEMBL2869025 0.89 DPP4 (0.39) DPP4DPP7HPGDDPP8NPC1
SCHEMBL2869022 0.89 DPP4 (0.39) DPP4DPP7HPGDDPP8NPC1
SCHEMBL2859679 0.88 HPGD (0.36) DPP4DPP7HPGDDPP8LPAR5
SCHEMBL2859682 0.88 HPGD (0.36) DPP4DPP7HPGDDPP8LPAR5
SCHEMBL4236083 0.88 DPP4 (0.44) DPP4DPP7DPP8CNR1CNR2
SCHEMBL4236164 0.88 DPP4 (0.44) DPP4DPP7DPP8CNR1CNR2
SCHEMBL2868088 0.86 NOTUM (0.41) HPGDCNR1CNR2MEN1KMT2A

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 DPP4 690/4885DPP7 798/4885HPGD 827/4885
US-20090221648-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS CHRNA4, CHRNA5, CHRNA3 DPP4 1647/4885DPP7 2524/4885HPGD 1323/4885

“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.