SCHEMBL242232

SCHEMBL242232

COc1c(C)cc2ncccc2c1Br

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SYK P43405 7/20 0.51
NSD2 O96028 1/20 0.43
CASP6 P55212 1/20 0.43
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAK O14976 2/20 0.37
ATAD2 Q6PL18 1/20 0.37
POLB P06746 1/20 0.37
RIPK2 O43353 1/20 0.37
COQ8A Q8NI60 1/20 0.37
NLK Q9UBE8 1/20 0.37
BRD4 O60885 1/20 0.37
CCR1 P32246 1/20 0.37
CCR8 P51685 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
SCHEMBL11985966 0.80 NPC1 (0.44) SYKNSD2CASP6KDM4EMAPT
SCHEMBL243422 0.77 HTT (0.45) KDM4EMAPTSMN1; SMN2HSD17B10ATAD2
SCHEMBL244158 0.77 ALDH1A1 (0.36) SYKNSD2CASP6SMN1; SMN2ATAD2
SCHEMBL15182719 0.75 POLB (0.38) NSD2POLB
SCHEMBL27928086 0.74 KDM4E (0.38) SYKNSD2CASP6KDM4EMAPT
SCHEMBL245247 0.74 CCR1 (0.51) NSD2CASP6PDGFRBPDGFRAKDM4E
SCHEMBL15703117 0.74 MEN1 (0.50) SYKNSD2CASP6KDM4EMAPT
SCHEMBL28724330 0.73 KDM4E (0.41) SYKNSD2CASP6KDM4EMAPT
SCHEMBL29360805 0.73 KDM4E (0.41) SYKNSD2CASP6KDM4EMAPT
SCHEMBL242075 0.73 BRD4 (0.40) SYKNSD2CASP6KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588455-B1 2-QUINOLINYL-ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS GILEAD SCIENCES INC (US) 2018-04-04 EP disclosed
EP-2588455-B1 2-QUINOLINYL-ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS GILEAD SCIENCES INC (US) 2018-04-04 EP disclosed
US-9376392-B2 2-(tert-butoxy)-2-(7-methylquinolin-6-yl) acetic acid derivatives for treating AIDS GILEAD SCIENCES, INC. (US) 2016-06-28 US disclosed
US-9376392-B2 2-(tert-butoxy)-2-(7-methylquinolin-6-yl) acetic acid derivatives for treating AIDS GILEAD SCIENCES, INC. (US) 2016-06-28 US disclosed
US-9376392-B2 2-(tert-butoxy)-2-(7-methylquinolin-6-yl) acetic acid derivatives for treating AIDS GILEAD SCIENCES, INC. (US) 2016-06-28 US disclosed
US-9296758-B2 2-quinolinyl-acetic acid derivatives as HIV antiviral compounds GILEAD SCIENCES, INC. (US) 2016-03-29 US disclosed
US-9296758-B2 2-quinolinyl-acetic acid derivatives as HIV antiviral compounds GILEAD SCIENCES, INC. (US) 2016-03-29 US disclosed
US-9296758-B2 2-quinolinyl-acetic acid derivatives as HIV antiviral compounds GILEAD SCIENCES, INC. (US) 2016-03-29 US disclosed
US-20150045374-A1 2- (TERT - BUTOXY) -2- (7 -METHYLQUINOLIN- 6 - YL) ACETIC ACID DERIVATIVES FOR TREATING AIDS GILEAD SCIENCES, INC. 2015-02-12 US disclosed
US-20150045374-A1 2- (TERT - BUTOXY) -2- (7 -METHYLQUINOLIN- 6 - YL) ACETIC ACID DERIVATIVES FOR TREATING AIDS GILEAD SCIENCES, INC. 2015-02-12 US disclosed
US-20150045374-A1 2- (TERT - BUTOXY) -2- (7 -METHYLQUINOLIN- 6 - YL) ACETIC ACID DERIVATIVES FOR TREATING AIDS GILEAD SCIENCES, INC. 2015-02-12 US disclosed
US-20130210801-A1 2-QUINOLINYL-ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-15 US disclosed
US-20130210801-A1 2-QUINOLINYL-ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-15 US disclosed
US-20130210801-A1 2-QUINOLINYL-ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-15 US disclosed
WO-2013103724-A1 2- (TERT - BUTOXY) -2- (7 -METHYLQUINOLIN- 6 - YL) ACETIC ACID DERIVATIVES FOR TREATING AIDS GILEAD SCIENCES, INC. (US) 2013-07-11 WO disclosed
WO-2013103724-A1 2- (TERT - BUTOXY) -2- (7 -METHYLQUINOLIN- 6 - YL) ACETIC ACID DERIVATIVES FOR TREATING AIDS GILEAD SCIENCES, INC. (US) 2013-07-11 WO disclosed
EP-2588455-A1 2 -QUINOLINYL- ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2013-05-08 EP disclosed
WO-2012003498-A1 2 -QUINOLINYL- ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-01-05 WO disclosed
WO-2012003498-A1 2 -QUINOLINYL- ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-01-05 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 (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-20150045374-A1 2- (TERT - BUTOXY) -2- (7 -METHYLQUINOLIN- 6 - YL) ACETIC ACID DERIVATIVES FOR TREATING AIDS NFATC1, ACIN1, TERT SYK 4481/4885NSD2 1899/4885CASP6 182/4885
US-20130210801-A1 2-QUINOLINYL-ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS NFATC1, ACIN1, ARF1 SYK 4873/4885NSD2 2702/4885CASP6 1865/4885

“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.