SCHEMBL243422

SCHEMBL243422

Cc1cc2ncccc2c(Br)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.45
KDM4E B2RXH2 5/20 0.45
HSP90AA1 P07900 4/20 0.45
MEN1 O00255 3/20 0.45
TP53 P04637 3/20 0.45
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
USP2 O75604 2/20 0.45
SLC6A2 P23975 3/20 0.42
MAPT P10636 2/20 0.41
ATAD2 Q6PL18 1/20 0.39
LMNA P02545 3/20 0.39
CCR1 P32246 1/20 0.39
CCR8 P51685 1/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
COMT P21964 2/20 0.38
IL1B P01584 1/20 0.38
ADORA3 P0DMS8 2/20 0.38

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 0.82 NPC1 (0.44) HTTKDM4EHSP90AA1SMN1; SMN2SLC6A2
SCHEMBL242232 0.77 SYK (0.51) KDM4ESMN1; SMN2MAPTATAD2CCR1
SCHEMBL27928086 0.77 KDM4E (0.38) HTTKDM4EHSP90AA1MAPTATAD2
SCHEMBL28724330 0.76 KDM4E (0.41) HTTKDM4EHSP90AA1MEN1TP53
SCHEMBL29360805 0.76 KDM4E (0.41) HTTKDM4EHSP90AA1MEN1TP53
SCHEMBL242075 0.76 BRD4 (0.40) HTTKDM4EHSP90AA1SMN1; SMN2MAPT
SCHEMBL15093354 0.74 SYK (0.33) HTTKDM4EHSP90AA1MEN1TP53
SCHEMBL15093346 0.74 SYK (0.33) HTTKDM4EHSP90AA1MEN1TP53
SCHEMBL430529 0.74 MAPT (0.58) HTTKDM4EHSP90AA1MEN1KMT2A
SCHEMBL244467 0.74 SYK (0.33) HTTKDM4EHSP90AA1MEN1TP53

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 24 patents — showing the first 20. 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
CN-103209963-A 2-quinolinyl-acetic acid derivatives as HIV antiviral compounds GILEAD SCIENCES INC 2013-07-17 CN 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
US-20090312313-A1 COMPOUND HAVING TGFBETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2009-12-17 US disclosed
US-7560558-B2 Compound having TGFβ inhibitory activity and medicinal composition containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2009-07-14 US disclosed
US-20060111375-A1 Compound having tgfß inhibitory activity and medicinal composition containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-05-25 US disclosed
EP-1548008-A1 COMPOUND HAVING TGF-BETA INHIBITORY ACTIVITY AND MEDICINAL COMPOSITION CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2005-06-29 EP 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 (3 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 HTT 2077/4885KDM4E 915/4885HSP90AA1 3123/4885
US-20060111375-A1 Compound having tgfß inhibitory activity and medicinal composition containing the same TGFB1, TGFBR1, TGFBR2 HTT 4107/4885KDM4E 1176/4885HSP90AA1 1393/4885
US-20090312313-A1 COMPOUND HAVING TGFBETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME TGFB1, TGFBR1, TGFBR2 HTT 3446/4885KDM4E 1066/4885HSP90AA1 2288/4885

“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.