SCHEMBL4427140

SCHEMBL4427140

CCNc1ccc2c(c1)OC(N)=C(C#N)C2c1cncc(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.51
KMT2A Q03164 11/20 0.51
MAPT P10636 6/20 0.51
LMNA P02545 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
NPC1 O15118 4/20 0.50
GAA P10253 4/20 0.50
NPSR1 Q6W5P4 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
TSHR P16473 3/20 0.50
USP2 O75604 2/20 0.50
CASP1 P29466 2/20 0.50
HTT P42858 2/20 0.50
CASP7 P55210 2/20 0.50
BRCA1 P38398 1/20 0.50
HBB P68871 1/20 0.50

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
SCHEMBL4324893 0.89 MAPT (0.52) MEN1KMT2AMAPTLMNACYP1A2
SCHEMBL6422424 0.89 MEN1 (0.54) MEN1KMT2AMAPTLMNACYP1A2
SCHEMBL4424611 0.87 MEN1 (0.69) MEN1KMT2AMAPTLMNACYP1A2
SCHEMBL4426413 0.83 MEN1 (0.72) MEN1KMT2AMAPTLMNACYP1A2
SCHEMBL4427108 0.82 MAPT (0.46) MEN1KMT2AMAPTLMNACYP1A2
SCHEMBL4338667 0.81 MEN1 (0.62) MEN1KMT2AMAPTLMNACYP1A2
SCHEMBL4334941 0.81 ALDH1A1 (0.55) MEN1KMT2AMAPTLMNACYP1A2
SCHEMBL4427780 0.79 MEN1 (0.52) MEN1KMT2AMAPTLMNACYP1A2
SCHEMBL4431097 0.78 SMN1; SMN2 (0.53) MEN1KMT2AMAPTLMNACYP1A2
SCHEMBL4426417 0.78 MEN1 (0.53) MEN1KMT2AMAPTLMNACYP1A2

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 13 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 claimed
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 MEN1 2444/4885KMT2A 2978/4885MAPT 4768/4885
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 3266/4885MAPT 4726/4885

“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.