SCHEMBL4426692

SCHEMBL4426692

N#CC1=C(N)Oc2ccccc2C1c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.70
KMT2A Q03164 7/20 0.70
ALDH1A1 P00352 6/20 0.70
MAPK1 P28482 3/20 0.70
TSHR P16473 2/20 0.70
HSD17B10 Q99714 2/20 0.70
ESR2 Q92731 1/20 0.70
NPC1 O15118 3/20 0.56
MAPT P10636 7/20 0.55
LMNA P02545 5/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
KDM4E B2RXH2 5/20 0.55
POLB P06746 2/20 0.55
GRK6 P43250 1/20 0.55
GFER P55789 1/20 0.55
PKM P14618 2/20 0.53

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
SCHEMBL4335448 0.85 MEN1 (0.76) MEN1KMT2AALDH1A1MAPK1TSHR
SCHEMBL16217134 0.83 MEN1 (0.72) MEN1KMT2AALDH1A1MAPK1TSHR
SCHEMBL4331607 0.80 MEN1 (0.79) MEN1KMT2AALDH1A1MAPK1TSHR
SCHEMBL5959439 0.80 MEN1 (0.67) MEN1KMT2AALDH1A1MAPK1TSHR
SCHEMBL28476700 0.79 MEN1 (0.56) MEN1KMT2AALDH1A1MAPK1TSHR
SCHEMBL14758482 0.77 MEN1 (0.77) MEN1KMT2AALDH1A1MAPK1TSHR
SCHEMBL5959234 0.77 MEN1 (0.60) MEN1KMT2AALDH1A1MAPK1TSHR
SCHEMBL40368 0.74 CYP2C9 (0.55) MEN1KMT2AALDH1A1MAPK1TSHR
SCHEMBL1752745 0.74 TUBB4A (0.73) MEN1KMT2AALDH1A1HSD17B10NPC1
SCHEMBL31237908 0.74 MYB (0.83) MEN1KMT2AALDH1A1MAPTLMNA

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 8 patents. 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
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 MEN1 2444/4885KMT2A 2978/4885ALDH1A1 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 MEN1 2109/4885KMT2A 3266/4885ALDH1A1 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.