SCHEMBL5089067

SCHEMBL5089067

CCCc1nc2c[n+]([O-])c3cc(OCCOCCNC(=O)OC(C)(C)C)ccc3c2s1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.41
CNR2 P34972 3/20 0.41
CA12 O43570 5/20 0.40
CA1 P00915 5/20 0.40
CA2 P00918 5/20 0.40
CA9 Q16790 5/20 0.40
SUCNR1 Q9BXA5 2/20 0.37
PDK2 Q15119 1/20 0.35
BRD4 O60885 1/20 0.34
DYRK1A Q13627 1/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34

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
SCHEMBL5087226 0.95 CA1 (0.44) BCHECNR2CA12CA1CA2
SCHEMBL5095676 0.93 CA12 (0.45) CA12CA1CA2CA9SUCNR1
SCHEMBL5095622 0.91 CA12 (0.47) CA12CA1CA2CA9SUCNR1
SCHEMBL5089095 0.85 BCHE (0.43) BCHECNR2CA12CA1CA2
SCHEMBL5089167 0.82 MTNR1A (0.36) CA1CA2
SCHEMBL5095437 0.81 CA1 (0.33) CA1CA2
SCHEMBL5087063 0.80 MTNR1A (0.37) CNR2CA1CA2
SCHEMBL5057054 0.79 TLR8 (0.45) BCHECNR2CA12CA1CA2
SCHEMBL23037671 0.79 NQO2 (0.39) BCHECA12CA1CA2CA9
SCHEMBL5096218 0.79 CA12 (0.43) BCHECNR2CA12CA1CA2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180057509-A1 ALKYLOXY SUBSTITUTED THIAZOLOQUINOLINES AND THIAZOLONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES CO (US) 2018-03-01 US disclosed
US-20170088559-A1 ALKYLOXY SUBSTITUTED THIAZOLOQUINOLINES AND THIAZOLONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES CO (US) 2017-03-30 US disclosed
US-9546184-B2 Alkyloxy substituted thiazoloquinolines and thiazolonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2017-01-17 US disclosed
US-20150266901-A1 ALKYLOXY SUBSTITUTED THIAZOLOQUINOLINES AND THIAZOLONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES CO (US) 2015-09-24 US disclosed
EP-1846419-B1 Alkoxy-substituted thiazoloquinolines and thiazolonaphthyridines 3M INNOVATIVE PROPERTIES CO (US) 2014-04-16 EP disclosed
US-20080318998-A1 Alkyloxy Substituted Thiazoloquinolines and Thiazolonaphthyridines COLEY PHARMACEUTICAL GROUP, INC. (US) 2008-12-25 US disclosed
EP-1846419-A2 ALKYLOXY SUBSTITUTED THIAZOLOQUINOLINES AND THIAZOLONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-10-24 EP disclosed
WO-2006086449-A2 ALKYLOXY SUBSTITUTED THIAZOLOQUINOLINES AND THIAZOLONAPHTHYRIDINES COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-08-17 WO 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 (4 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-20150266901-A1 ALKYLOXY SUBSTITUTED THIAZOLOQUINOLINES AND THIAZOLONAPHTHYRIDINES IL2, IFNG, TSLP BCHE 3532/4885CNR2 2286/4885CA12 3192/4885
US-20170088559-A1 ALKYLOXY SUBSTITUTED THIAZOLOQUINOLINES AND THIAZOLONAPHTHYRIDINES IL2, IFNG, TSLP BCHE 3532/4885CNR2 2286/4885CA12 3192/4885
US-20080318998-A1 Alkyloxy Substituted Thiazoloquinolines and Thiazolonaphthyridines IL2, IFNG, TSLP BCHE 3532/4885CNR2 2286/4885CA12 3192/4885
US-20180057509-A1 ALKYLOXY SUBSTITUTED THIAZOLOQUINOLINES AND THIAZOLONAPHTHYRIDINES IL2, IFNG, TSLP BCHE 3532/4885CNR2 2286/4885CA12 3192/4885

“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.