SCHEMBL5096218

SCHEMBL5096218

CCCc1nc2cnc3cc(OCCNC(=O)OC(C)(C)C)ccc3c2s1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.43
CA1 P00915 5/20 0.43
CA2 P00918 5/20 0.43
CA9 Q16790 5/20 0.43
PDK2 Q15119 1/20 0.41
BRD4 O60885 2/20 0.38
SCN9A Q15858 1/20 0.37
DYRK1A Q13627 1/20 0.37
BCHE P06276 1/20 0.36
CNR2 P34972 1/20 0.36
ALDH1A1 P00352 1/20 0.36
EGFR P00533 2/20 0.36
ITK Q08881 2/20 0.36
LATS1 O95835 1/20 0.35
SYK P43405 1/20 0.35
LMNA P02545 1/20 0.35
NQO2 P16083 1/20 0.35

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
SCHEMBL5096213 0.97 CA12 (0.44) CA12CA1CA2CA9PDK2
SCHEMBL5089095 0.95 BCHE (0.43) CA12CA1CA2CA9PDK2
SCHEMBL5090638 0.94 CA12 (0.46) CA12CA1CA2CA9BRD4
SCHEMBL5065092 0.85 TLR8 (0.48) CA12CA1CA2CA9PDK2
SCHEMBL5087226 0.84 CA1 (0.44) CA12CA1CA2CA9PDK2
SCHEMBL5057090 0.82 TLR7 (0.47) CA12CA1CA2CA9BRD4
SCHEMBL23037677 0.81 NQO2 (0.39) BCHEEGFRLATS1NQO2
SCHEMBL30539833 0.81 NQO2 (0.39) BCHEEGFRLATS1NQO2
SCHEMBL5095676 0.81 CA12 (0.45) CA12CA1CA2CA9PDK2
SCHEMBL5057054 0.81 TLR8 (0.45) CA12CA1CA2CA9PDK2

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 CA12 3192/4885CA1 3085/4885CA2 2837/4885
US-20170088559-A1 ALKYLOXY SUBSTITUTED THIAZOLOQUINOLINES AND THIAZOLONAPHTHYRIDINES IL2, IFNG, TSLP CA12 3192/4885CA1 3085/4885CA2 2837/4885
US-20080318998-A1 Alkyloxy Substituted Thiazoloquinolines and Thiazolonaphthyridines IL2, IFNG, TSLP CA12 3192/4885CA1 3085/4885CA2 2837/4885
US-20180057509-A1 ALKYLOXY SUBSTITUTED THIAZOLOQUINOLINES AND THIAZOLONAPHTHYRIDINES IL2, IFNG, TSLP CA12 3192/4885CA1 3085/4885CA2 2837/4885

“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.