SCHEMBL2083380

SCHEMBL2083380

CCNc1ccc(C#N)cc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 2/20 0.54
GAA P10253 2/20 0.54
MAPT P10636 1/20 0.50
THRB P10828 1/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
GFER P55789 1/20 0.50
PLEC Q15149 1/20 0.50
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
CYP2A6 P11509 1/20 0.38
KAT2B Q92831 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL31069432 0.86 KDM4E (0.51) KDM4EALDH1A1GAAMAPTTHRB
SCHEMBL1206785 0.86 KDM4E (0.51) KDM4EALDH1A1GAAMAPTTHRB
SCHEMBL3070346 0.86 LMNA (0.45) KDM4EALDH1A1GAAMAPTTHRB
SCHEMBL16155889 0.82 KDM4E (0.54) KDM4EALDH1A1GAAMAPTTHRB
SCHEMBL28018773 0.80 CYP3A4 (0.42) KDM4EALDH1A1GAAMAPTGFER
SCHEMBL1161036 0.79 ALDH1A1 (0.59) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL29519346 0.79 KDM4E (0.51) KDM4EALDH1A1GAAKAT2BPRSS1
SCHEMBL6187977 0.79 KDM4E (0.51) KDM4EALDH1A1GAAKAT2BPRSS1
SCHEMBL24320215 0.79 PTGER4 (0.56) KDM4EALDH1A1GAAMAPTKAT2B
SCHEMBL2866192 0.79 KDM4E (0.48) KDM4EALDH1A1GAAKAT2BSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025080781-A1 NK3 MODULATORS AND USES THEREOF KALLYOPE, INC. (US) 2025-04-17 WO disclosed
WO-2025062330-A1 HETEROCYCLIC COMPOUNDS AS CBP SELECTIVE DEGRADERS AURIGENE ONCOLOGY LIMITED (IN) 2025-03-27 WO disclosed
WO-2018125799-A2 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS (BERMUDA), LTD. (BM) 2018-07-05 WO disclosed
EP-1465882-B1 HETROCYCLIC MODULATORS OF NUCLEAR RECEPTORS X CEPTOR THERAPEUTICS INC (US) 2011-08-24 EP disclosed
US-7902237-B2 nuclear receptor activity modulators; 4-(ethylamino)-3-{[(2Z,5Z)-5-{[methyl(phenyl)amino]methylidene}-4-oxo-3-(phenylmethyl)-1,3-thiazolidin-2-ylidene]amino}benzonitrile; diseases or disorders affected by abnormal cholesterol, triglyceride, or bile acid levels EXELIXIS, INC. (US) 2011-03-08 US disclosed
US-7902237-B2 nuclear receptor activity modulators; 4-(ethylamino)-3-{[(2Z,5Z)-5-{[methyl(phenyl)amino]methylidene}-4-oxo-3-(phenylmethyl)-1,3-thiazolidin-2-ylidene]amino}benzonitrile; diseases or disorders affected by abnormal cholesterol, triglyceride, or bile acid levels EXELIXIS, INC. (US) 2011-03-08 US disclosed
US-7902237-B2 nuclear receptor activity modulators; 4-(ethylamino)-3-{[(2Z,5Z)-5-{[methyl(phenyl)amino]methylidene}-4-oxo-3-(phenylmethyl)-1,3-thiazolidin-2-ylidene]amino}benzonitrile; diseases or disorders affected by abnormal cholesterol, triglyceride, or bile acid levels EXELIXIS, INC. (US) 2011-03-08 US disclosed
EP-1368342-B3 BENZIMIDAZOLE AND PYRIDYLIMIDAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS NEUROGEN CORP (US) 2010-12-01 EP disclosed
US-20100267698-A1 Benzimidazole and Pyridylimidazole Derivatives NEUROGEN CORPORATION 2010-10-21 US disclosed
US-7642267-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2010-01-05 US disclosed
CN-1553909-A Benzimidazole and pyridylimidazole derivatives as ligands for GABA receptors 2004-12-08 CN disclosed
EP-1465882-A2 HETROCYCLIC MODULATORS OF NUCLEAR RECEPTORS X-Ceptor Therapeutics, Inc. (US) 2004-10-13 EP disclosed
US-20040180942-A1 Heterocyclic modulators of nuclear receptors X-CEPTOR THERAPEUTICS, INC. 2004-09-16 US disclosed
US-6696473-B2 THIAZOLIDINONE DERIVATIVES; MODULATING CHOLESTEROL METABOLISM X-CEPTOR THERAPEUTICS, INC. 2004-02-24 US disclosed
WO-2003060078-A9 HETEROCYCLIC MODULATORS OF NUCLEAR RECEPTORS X CEPTOR THERAPEUTICS INC (US) 2004-02-19 WO disclosed
EP-1368342-A2 BENZIMIDAZOLE AND PYRIDYLIMIDAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS NEUROGEN CORPORATION (US) 2003-12-10 EP disclosed
US-20030212111-A1 Heterocyclic modulators of nuclear receptors AKARNA THERAPEUTICS, LTD. (GB) 2003-11-13 US disclosed
WO-2003060078-A2 HETEROCYCLIC MODULATORS OF NUCLEAR RECEPTORS X-CEPTOR THERAPEUTICS, INC. (US) 2003-07-24 WO disclosed
US-20030069257-A1 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION 2003-04-10 US disclosed
WO-2002050062-A2 BENZIMIDAZOLE AND PYRIDYLIMIDAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS NEUROGEN CORPORATION (US) 2002-06-27 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-20100267698-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 KDM4E 1996/4885ALDH1A1 470/4885GAA 1402/4885
US-20040180942-A1 Heterocyclic modulators of nuclear receptors NR1H2, NR1H3, NR1H4 KDM4E 3294/4885ALDH1A1 2884/4885GAA 3489/4885
US-20030212111-A1 Heterocyclic modulators of nuclear receptors NR1H2, NR1H3, NR1H4 KDM4E 3294/4885ALDH1A1 2884/4885GAA 3489/4885
US-20030069257-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABRA1, GABBR2 KDM4E 1864/4885ALDH1A1 220/4885GAA 1093/4885

“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.