SCHEMBL2870253

SCHEMBL2870253

O=C(N=c1sccn1-c1cnc2ccccc2n1)N1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.49
DPP4 P27487 2/20 0.40
HTR3A P46098 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
GRM5 P41594 1/20 0.39
HCAR2 Q8TDS4 2/20 0.39
HCRTR1 O43613 7/20 0.38
HCRTR2 O43614 7/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
NFKB1 P19838 1/20 0.37
HTT P42858 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL2870251 1.00 PTK2 (0.49) PTK2DPP4HTR3AHRH4GRM5
SCHEMBL2863244 0.81 PTK2 (0.44) PTK2DPP4HTR3AHRH4GRM5
SCHEMBL2863248 0.81 PTK2 (0.44) PTK2DPP4HTR3AHRH4GRM5
SCHEMBL2870171 0.77 HRH3 (0.38) GRM5NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2870381 0.77 CNR2 (0.38) DPP4GRM5NPC1RAB9ASMN1; SMN2
SCHEMBL2870385 0.77 CNR2 (0.38) DPP4GRM5NPC1RAB9ASMN1; SMN2
SCHEMBL2866835 0.77 HTR3E (0.38) HTR3AHCRTR1HCRTR2NPC1RAB9A
SCHEMBL2870168 0.77 HRH3 (0.38) GRM5NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2866832 0.77 HTR3E (0.38) HTR3AHCRTR1HCRTR2NPC1RAB9A
SCHEMBL2866689 0.77 ADORA2B (0.30) HCRTR1HCRTR2

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 12 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
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 PTK2 4016/4885DPP4 690/4885HTR3A 818/4885
US-20090221648-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS CHRNA4, CHRNA5, CHRNA3 PTK2 2992/4885DPP4 1647/4885HTR3A 22/4885

“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.