SCHEMBL4428198

SCHEMBL4428198

COc1cccc(-c2c(C#N)c(=N)sc3cc(OC)ccc23)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
ADORA1 P30542 4/20 0.44
ADORA2A P29274 3/20 0.44
HPGD P15428 2/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44
ADORA2B P29275 1/20 0.44
RXFP1 Q9HBX9 2/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 2/20 0.41
LIMK1 P53667 1/20 0.41
ATM Q13315 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 4/20 0.39
GLA P06280 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SQOR Q9Y6N5 1/20 0.39
ALDH1A1 P00352 2/20 0.39
USP2 O75604 1/20 0.39

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
SCHEMBL4435556 0.91 PTPN1 (0.46) FNTAFNTBADORA1ADORA2ATP53
SCHEMBL1983278 0.72 ADORA1 (0.51) FNTAFNTBADORA1ADORA2AHPGD
SCHEMBL29152130 0.72 ADORA1 (0.53) FNTAFNTBADORA1ADORA2AHPGD
SCHEMBL6994300 0.72 HTT (0.44) ADORA1ADORA2AHPGDTP53HTT
SCHEMBL5618530 0.71 MAPK1 (0.59) HPGDHTTMAPK1L3MBTL1KDM4E
SCHEMBL5618537 0.71 ALDH1A1 (0.56) HPGDMAPTMAPK1L3MBTL1KDM4E
SCHEMBL8158192 0.70 TUBB4A (0.53) ATML3MBTL1
SCHEMBL1982213 0.69 FNTA (0.52) FNTAFNTBADORA1ADORA2AHPGD
SCHEMBL7573051 0.68 ADORA2A (0.55) ADORA1ADORA2AHPGDTP53HTT
SCHEMBL7106224 0.67 MAPT (0.55) HPGDHTTRXFP1MAPTMAPK1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392283-A4 SUBSTITUTED COUMARINS AND QUINOLINES AS CASPASE ACTIVATORS CYTOVIA INC (US) 2004-10-20 EP claimed
EP-1392283-A1 SUBSTITUTED COUMARINS AND QUINOLINES AS CASPASES ACTIVATORS Cytovia, Inc. (US) 2004-03-03 EP claimed
US-20030114485-A1 Substituted coumarins and quinolines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2003-06-19 US claimed
WO-2002092076-A1 SUBSTITUTED COUMARINS AND QUINOLINES AS CASPASES ACTIVATORS CYTOVIA, INC. (US) 2002-11-21 WO claimed
EP-1392683-B1 SUBSTITUTED 4H-CHROMENES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THEIR USE AS ANTICANCER AGENTS CYTOVIA INC (US) 2009-12-02 EP disclosed
EP-1392683-B1 SUBSTITUTED 4H-CHROMENES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THEIR USE AS ANTICANCER AGENTS CYTOVIA INC (US) 2009-12-02 EP disclosed
US-7235674-B2 Substituted coumarins and quinolines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2007-06-26 US disclosed
US-7235674-B2 Substituted coumarins and quinolines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2007-06-26 US disclosed
US-7235674-B2 Substituted coumarins and quinolines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2007-06-26 US disclosed
US-7053117-B2 Substituted 4H-chromenes and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2006-05-30 US disclosed
US-7015328-B2 Substituted coumarins and quinolines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2006-03-21 US disclosed
US-20060035925-A1 SUBSTITUTED 4H-CHROMENES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2006-02-16 US disclosed
US-20050090526-A1 Substituted coumarins and quinolines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2005-04-28 US disclosed
EP-1392283-A4 SUBSTITUTED COUMARINS AND QUINOLINES AS CASPASE ACTIVATORS CYTOVIA INC (US) 2004-10-20 EP disclosed
EP-1392683-A1 SUBSTITUTED 4 i H /i -CHROMENES AND ANALOGS AS ACTIVATORS OFGASP ASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2004-03-03 EP disclosed
EP-1392283-A1 SUBSTITUTED COUMARINS AND QUINOLINES AS CASPASES ACTIVATORS Cytovia, Inc. (US) 2004-03-03 EP disclosed
US-20030114485-A1 Substituted coumarins and quinolines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2003-06-19 US disclosed
US-20030065018-A1 Substituted 4H-chromenes and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2003-04-03 US disclosed
WO-2002092076-A1 SUBSTITUTED COUMARINS AND QUINOLINES AS CASPASES ACTIVATORS CYTOVIA, INC. (US) 2002-11-21 WO disclosed
WO-2002092594-A1 SUBSTITUTED 4H-CHROMENES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2002-11-21 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-20030114485-A1 Substituted coumarins and quinolines and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP7, CASP1, CASP5 FNTA 1774/4885FNTB 1429/4885ADORA1 2303/4885
US-20050090526-A1 Substituted coumarins and quinolines and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP7, CASP5, CASP14 FNTA 1644/4885FNTB 1354/4885ADORA1 2827/4885
US-20060035925-A1 SUBSTITUTED 4H-CHROMENES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CASP4, CASP3, CASP7 FNTA 2765/4885FNTB 3580/4885ADORA1 1739/4885
US-20030065018-A1 Substituted 4H-chromenes and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP4, CASP5, CASP1 FNTA 2442/4885FNTB 3385/4885ADORA1 1210/4885

“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.