SCHEMBL4430050

SCHEMBL4430050

N#CC1=C(N)Nc2ccccc2C1c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 6/20 0.51
CUL4A Q13619 1/20 0.47
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 6/20 0.46
HSD17B10 Q99714 2/20 0.46
ALOX15 P16050 1/20 0.46
MAPT P10636 5/20 0.45
GAA P10253 4/20 0.45
LMNA P02545 3/20 0.45
CACNA1B Q00975 2/20 0.45
APBA1 Q02410 2/20 0.45
ALOX12 P18054 1/20 0.45
TSHR P16473 2/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
ESR2 Q92731 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
GFER P55789 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
SCHEMBL11047272 0.74 HTR5A (0.41) IDO1ALDH1A1MAPTGAALMNA
SCHEMBL31728057 0.72 IDO1 (0.51) IDO1ALDH1A1KDM4EHSD17B10ALOX15
SCHEMBL2828597 0.72 IDO1 (0.51) IDO1ALDH1A1KDM4EHSD17B10ALOX15
SCHEMBL12165459 0.68 HTR5A (0.37) IDO1ALDH1A1MAPTGAALMNA
SCHEMBL4426692 0.68 MEN1 (0.70) ALDH1A1KDM4EHSD17B10ALOX15MAPT
SCHEMBL7815153 0.67 KDM4E (0.60) IDO1CUL4AALDH1A1KDM4EHSD17B10
SCHEMBL15026364 0.66 ALDH1A1 (0.62) IDO1ALDH1A1KDM4EHSD17B10ALOX15
SCHEMBL23044014 0.66 MAPT (0.44) IDO1ALDH1A1KDM4EMAPTLMNA
SCHEMBL6949569 0.66 CUL4A (0.45) IDO1CUL4AALDH1A1KDM4EHSD17B10
SCHEMBL15572548 0.65 CUL4A (1.00) CUL4AALDH1A1KDM4EHSD17B10ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-1392683-A4 SUBSTITUTED 4 i H /i -CHROMENES AND ANALOGS AS ACTIVATORS OFGASP ASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA INC (US) 2005-10-26 EP claimed
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 claimed
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 claimed
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 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
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-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
EP-1392683-A4 SUBSTITUTED 4 i H /i -CHROMENES AND ANALOGS AS ACTIVATORS OFGASP ASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA INC (US) 2005-10-26 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
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-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 (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-20060035925-A1 SUBSTITUTED 4H-CHROMENES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CASP4, CASP3, CASP7 IDO1 3635/4885CUL4A 668/4885ALDH1A1 2014/4885
US-20030065018-A1 Substituted 4H-chromenes and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP4, CASP5, CASP1 IDO1 2507/4885CUL4A 744/4885ALDH1A1 774/4885

“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.