SCHEMBL2399083

SCHEMBL2399083

CCC(=O)Nc1cnc2cc(OCc3ccccc3)ccc2c1O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.52
ERBB4 Q15303 2/20 0.52
ERBB2 P04626 1/20 0.52
NMT1 P30419 6/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 1/20 0.45
KDR P35968 1/20 0.45
MAOB P27338 1/20 0.44
RAB9A P51151 2/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NMT2 O60551 2/20 0.44
GSK3B P49841 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
EGLN2 Q96KS0 2/20 0.43
EGLN1 Q9GZT9 2/20 0.43

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
SCHEMBL2400359 0.93 GSK3B (0.52) EGFRERBB4ERBB2NMT1MEN1
SCHEMBL16695026 0.78 EGFR (0.45) EGFRERBB4ERBB2NMT1MAPT
SCHEMBL17338607 0.78 MAOB (0.54) NMT1MEN1KMT2AMAOBNMT2
Hydrochloric Acid SCHEMBL5617664 0.77 EGFR (0.44) EGFRERBB4ERBB2NMT1MAPT
SCHEMBL30532968 0.77 NMT1 (0.65) NMT1MEN1KMT2AMAPTMAOB
SCHEMBL28966940 0.77 ALDH1A1 (0.60) EGFRERBB4ERBB2MEN1KMT2A
SCHEMBL5767044 0.76 NPC1 (0.50) MAPTKDRRAB9AALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL2400044 0.75 CYP3A4 (0.48) MEN1KMT2AMAPTKDRMAOB
SCHEMBL311213 0.73 MEN1 (0.48) MEN1KMT2AMAPTMAOBRAB9A
SCHEMBL2170643 0.72 LTA4H (0.76) MEN1KMT2ARAB9AALDH1A1SMN1; SMN2

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 11 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-8026366-B2 Aryloxy and arylalkyleneoxy substituted thiazoloquinolines and thiazolonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-09-27 US 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
US-20070208052-A1 Aryloxy and arylalkyleneoxy substituted thiazoloquinolines and thiazolonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY 2007-09-06 US disclosed
WO-2006086449-A2 ALKYLOXY SUBSTITUTED THIAZOLOQUINOLINES AND THIAZOLONAPHTHYRIDINES COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-08-17 WO disclosed
WO-2006009826-A1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED THIAZOLOQUINOLINES AND THIAZOLONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-01-26 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 (5 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 EGFR 1926/4885ERBB4 662/4885ERBB2 895/4885
US-20170088559-A1 ALKYLOXY SUBSTITUTED THIAZOLOQUINOLINES AND THIAZOLONAPHTHYRIDINES IL2, IFNG, TSLP EGFR 1926/4885ERBB4 662/4885ERBB2 895/4885
US-20080318998-A1 Alkyloxy Substituted Thiazoloquinolines and Thiazolonaphthyridines IL2, IFNG, TSLP EGFR 1926/4885ERBB4 662/4885ERBB2 895/4885
US-20070208052-A1 Aryloxy and arylalkyleneoxy substituted thiazoloquinolines and thiazolonaphthyridines IL2, TSLP, IFNG EGFR 1438/4885ERBB4 703/4885ERBB2 723/4885
US-20180057509-A1 ALKYLOXY SUBSTITUTED THIAZOLOQUINOLINES AND THIAZOLONAPHTHYRIDINES IL2, IFNG, TSLP EGFR 1926/4885ERBB4 662/4885ERBB2 895/4885

“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.