SCHEMBL4436700

SCHEMBL4436700

N#Cc1c(N)nc2ccccc2c1-c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.60
HSD17B10 Q99714 4/20 0.60
ADRA2A P08913 2/20 0.60
HTT P42858 2/20 0.60
KDM4E B2RXH2 8/20 0.55
ALDH1A1 P00352 7/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
RXFP1 Q9HBX9 3/20 0.54
HPGD P15428 3/20 0.54
LMNA P02545 2/20 0.54
CDK5 Q00535 1/20 0.54
DYRK1A Q13627 1/20 0.54
CDK5R1 Q15078 1/20 0.54
ADORA1 P30542 3/20 0.51
MEN1 O00255 1/20 0.50
ALOX15 P16050 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49

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
SCHEMBL6222369 0.91 ADORA2A (0.57) ADORA2AHSD17B10ADRA2AHTTKDM4E
SCHEMBL6222930 0.90 ADORA2A (0.57) ADORA2AHSD17B10ADRA2AHTTKDM4E
SCHEMBL6072090 0.90 ADORA2A (0.56) ADORA2AHSD17B10ADRA2AHTTKDM4E
SCHEMBL28746020 0.87 RXFP1 (0.67) ADORA2AHSD17B10ADRA2AHTTKDM4E
SCHEMBL7011406 0.84 ADORA2A (0.70) ADORA2AHSD17B10ADRA2AHTTKDM4E
SCHEMBL3319793 0.83 ADORA2A (0.56) ADORA2AHSD17B10ADRA2AHTTKDM4E
SCHEMBL6779108 0.83 ADORA2A (0.50) ADORA2AHSD17B10ADRA2AHTTKDM4E
SCHEMBL6072338 0.81 KDM4E (0.62) ADORA2AHSD17B10ADRA2AHTTKDM4E
SCHEMBL31636611 0.81 KDM4E (0.56) ADORA2AHSD17B10ADRA2AHTTKDM4E
SCHEMBL3521028 0.81 KDM4E (0.56) ADORA2AHSD17B10ADRA2AHTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-101242835-A Inhibition of osteolytic lesions by SRC kinase inhibitors UNIV TEXAS (US) 2008-08-13 CN 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
CN-1308311-C Novel pyridine- and quinoline-derivatives HOFFMANN LA ROCHE (CH) 2007-04-04 CN 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
WO-2003068748-A9 NOVEL PYRIDINE- AND QUINOLINE-DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-10-07 WO disclosed
US-6800650-B2 FOR THERAPY AND PROPHYLAXIS OF DIABETES, PARTICULARLY NON-INSULIN DEPENDENT DIABETES MELLITUS AND IMPAIRED GLUCOSE TOLERANCE. HOFFMANN-LA ROCHE INC. 2004-10-05 US 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-20030195188-A1 Pyridine and quinoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 2003-10-16 US disclosed
WO-2003068748-A1 NOVEL PYRIDINE- AND QUINOLINE-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-08-21 WO 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 ADORA2A 3931/4885HSD17B10 1248/4885ADRA2A 4589/4885
US-20030195188-A1 Pyridine and quinoline derivatives DPP4, DPP3, DPP7 ADORA2A 1745/4885HSD17B10 922/4885ADRA2A 884/4885
US-20060035925-A1 SUBSTITUTED 4H-CHROMENES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CASP4, CASP3, CASP7 ADORA2A 2237/4885HSD17B10 930/4885ADRA2A 2790/4885
US-20030065018-A1 Substituted 4H-chromenes and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP4, CASP5, CASP1 ADORA2A 2506/4885HSD17B10 705/4885ADRA2A 3241/4885

“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.