SCHEMBL1751883

SCHEMBL1751883

Cc1cncc(C2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.64
KMT2A Q03164 10/20 0.64
MAPT P10636 7/20 0.64
NPSR1 Q6W5P4 5/20 0.64
LMNA P02545 5/20 0.64
HTT P42858 4/20 0.64
GAA P10253 4/20 0.64
TSHR P16473 4/20 0.64
CASP1 P29466 3/20 0.64
ALOX15 P16050 3/20 0.64
MAPK1 P28482 3/20 0.64
USP2 O75604 2/20 0.64
CASP7 P55210 2/20 0.64
TP53 P04637 2/20 0.64
NPC1 O15118 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
CYP1A2 P05177 2/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2D6 P10635 2/20 0.58
CYP2C9 P11712 2/20 0.58

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
SCHEMBL4338667 0.88 MEN1 (0.62) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL4323896 0.88 MEN1 (0.70) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL4426664 0.86 GRK6 (0.72) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL30628032 0.85 MEN1 (0.78) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL4323748 0.85 MEN1 (0.78) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL28644827 0.85 POLB (0.73) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL30628022 0.85 POLB (0.73) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL4325072 0.85 MEN1 (0.79) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL4323764 0.84 MEN1 (0.57) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL4319306 0.84 MEN1 (0.59) MEN1KMT2AMAPTNPSR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050154015-A1 Substituted 4H-chromene and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2005-07-14 US claimed
EP-1230232-B1 SUBSTITUTED 4H-CHROMENE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA INC (US) 2004-02-25 EP claimed
US-7968595-B2 R-stereoisomer of 2,7,8-triamino-4-(3-bromo-4,5-dimethoxyphenyl)-3-cyano-4H-chromene; treating solid tumors and ocular neovascularization; combination therapy; prodrugs made by reacting with protected amino acid CYTOVIA, INC. (US) 2011-06-28 US disclosed
US-7968595-B2 R-stereoisomer of 2,7,8-triamino-4-(3-bromo-4,5-dimethoxyphenyl)-3-cyano-4H-chromene; treating solid tumors and ocular neovascularization; combination therapy; prodrugs made by reacting with protected amino acid CYTOVIA, INC. (US) 2011-06-28 US disclosed
US-7968595-B2 R-stereoisomer of 2,7,8-triamino-4-(3-bromo-4,5-dimethoxyphenyl)-3-cyano-4H-chromene; treating solid tumors and ocular neovascularization; combination therapy; prodrugs made by reacting with protected amino acid CYTOVIA, INC. (US) 2011-06-28 US disclosed
EP-2049101-A2 SUBSTITUTED 4-ARYL-CHROMENE AS ACTIVATOR OF CASPASES AND INDUCER OF APOPTOSIS AND AS ANTIVASCULAR AGENT AND THE USE THEREOF Cytovia, Inc. (US) 2009-04-22 EP disclosed
US-7507762-B2 Substituted 4H-chromene and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2009-03-24 US disclosed
US-20080085328-A1 Substituted 4-aryl-chromene as activator of caspases and inducer of apoptosis and as antivascular agent and the use thereof DISCOVER GROWTH FUND, LLC (VI) 2008-04-10 US disclosed
US-20080085328-A1 Substituted 4-aryl-chromene as activator of caspases and inducer of apoptosis and as antivascular agent and the use thereof DISCOVER GROWTH FUND, LLC (VI) 2008-04-10 US disclosed
US-20080085328-A1 Substituted 4-aryl-chromene as activator of caspases and inducer of apoptosis and as antivascular agent and the use thereof DISCOVER GROWTH FUND, LLC (VI) 2008-04-10 US disclosed
WO-2008005572-A2 SUBSTITUTED 4-ARYL-CHROMENE AS ACTIVATOR OF CASPASES AND INDUCER OF APOPTOSIS AND AS ANTIVASCULAR AGENT AND THE USE THEREOF CYTOVIA, INC. (US) 2008-01-10 WO disclosed
US-20050154015-A1 Substituted 4H-chromene and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2005-07-14 US disclosed
US-6906203-B1 Substituted 4H-chromene and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2005-06-14 US disclosed
EP-1230232-B1 SUBSTITUTED 4H-CHROMENE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA INC (US) 2004-02-25 EP disclosed
EP-1230232-A2 SUBSTITUTED 4H-CHROMENE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2002-08-14 EP disclosed
WO-2001034591-A2 SUBSTITUTED 4H-CHROMENE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2001-05-17 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-20050154015-A1 Substituted 4H-chromene and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP4, CASP3, CASP5 MEN1 2868/4885KMT2A 3138/4885MAPT 4779/4885
US-20080085328-A1 Substituted 4-aryl-chromene as activator of caspases and inducer of apoptosis and as antivascular agent and the use thereof CASP1, CASP2, CASP3 MEN1 2169/4885KMT2A 3460/4885MAPT 4829/4885

“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.