SCHEMBL2870758

SCHEMBL2870758

Cc1cn(-c2ccccn2)/c(=N/C(=O)N2CCCC2)s1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.41
ALDH1A1 P00352 10/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
HBB P68871 1/20 0.37
HSD17B10 Q99714 5/20 0.37
HPGD P15428 4/20 0.37
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 2/20 0.36
USP2 O75604 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL2870761 1.00 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL2872814 0.84 KMT2A (0.38) KDM4EALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL2872820 0.84 KMT2A (0.38) KDM4EALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL2861003 0.84 HPGD (0.40) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL2861008 0.84 HPGD (0.40) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL2863248 0.82 PTK2 (0.44) KDM4EALDH1A1SMN1; SMN2KMT2AHSD17B10
SCHEMBL2863244 0.82 PTK2 (0.44) KDM4EALDH1A1SMN1; SMN2KMT2AHSD17B10
SCHEMBL2842613 0.81 GRM1 (0.41) ALDH1A1KMT2AMEN1HSD17B10HPGD
SCHEMBL2842609 0.81 GRM1 (0.41) ALDH1A1KMT2AMEN1HSD17B10HPGD
SCHEMBL2858402 0.81 TRPV1 (0.52) KDM4EALDH1A1SMN1; SMN2TSHR

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 KDM4E 3902/4885ALDH1A1 2649/4885SMN1; SMN2 1424/4885
US-20090221648-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS CHRNA4, CHRNA5, CHRNA3 KDM4E 1275/4885ALDH1A1 2032/4885SMN1; SMN2 2490/4885

“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.