SCHEMBL650005

SCHEMBL650005

CCCCn1c(-c2ccccc2C)nc(Cl)c1CC(CNCc1ccc2[nH]ccc2c1)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GRM2 Q14416 1/20 0.32
ALOX5AP P20292 1/20 0.32
P2RX3 P56373 1/20 0.31
F2 P00734 2/20 0.31
ALKBH5 Q6P6C2 1/20 0.31
FTO Q9C0B1 1/20 0.31
KLKB1 P03952 1/20 0.31
TRPA1 O75762 1/20 0.31
KDM1A O60341 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31

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
SCHEMBL647955 0.87 MEN1 (0.36) MEN1KMT2A
SCHEMBL650098 0.78 MEN1 (0.36) MEN1KMT2AGRM2
SCHEMBL648912 0.78 KMT2A (0.37) MEN1KMT2AGRM2P2RX3
SCHEMBL1913111 0.76 MEN1 (0.37) MEN1KMT2AGRM2
SCHEMBL652698 0.75 MEN1 (0.36) MEN1KMT2AGRM2
SCHEMBL651029 0.74 MEN1 (0.38) MEN1KMT2AGRM2P2RX3
SCHEMBL650133 0.74 MEN1 (0.35) MEN1KMT2A
SCHEMBL1913109 0.72 MEN1 (0.34) MEN1KMT2A
SCHEMBL650154 0.67 KMT2A (0.39) MEN1KMT2A
SCHEMBL647954 0.67 KMT2A (0.34) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7393848-B2 Certain heterocyclic substituted imidazo[1,2-A]pyrazin-8-ylamines and methods of inhibition of Bruton's tyrosine kinase by such compounds CGI PHARMACEUTICALS, INC. (US) 2008-07-01 US claimed
US-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION 2008-02-28 US claimed
US-20080015183-A1 SUBSTITUTED QUINAZOLIN-4-YLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2008-01-17 US claimed
US-20070219203-A1 Arylalkylamino-substituted quinazoline analogues NEUROGEN CORPORATION (US) 2007-09-20 US claimed
US-20070105865-A1 Substituted bicyclic quinazolin-4-ylamine derivatives NEUROGEN CORPORATION (US) 2007-05-10 US claimed
US-20040156869-A1 2-substituted quinazolin-4-ylamine analogues NEUROGEN CORPORATION 2004-08-12 US claimed
US-20040106616-A1 Substituted quinazolin-4-ylamine analogues NEUROGEN CORPORATION 2004-06-03 US claimed
EP-1786800-B1 1,4-Diarylpiperazine derivatives as capsaicin receptor modulators for treating pain NEUROGEN CORP (US) 2017-01-04 EP disclosed
US-9320815-B2 Compounds and methods for enzyme-mediated tumor imaging and therapy PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-04-26 US disclosed
US-9133204-B2 5-membered heterocyclic amides and related compounds H. LUNDBECK A/S (DK) 2015-09-15 US disclosed
EP-2178865-B1 5-MEMBERED HETEROCYCLIC AMIDES AND RELATED COMPOUNDS LUNDBECK H AS (DK) 2015-08-19 EP disclosed
US-20150005293-A1 5-Membered Heterocyclic Amides And Related Compounds MINDIMMUNE THERAPEUTICS, INC. 2015-01-01 US disclosed
US-8759361-B2 2-phenoxy pyrimidinone analogues NEUROGEN CORPORATION (US) 2014-06-24 US disclosed
US-20040077653-A1 Imidazol-1-ylmethyl pyridazine derivatives NEUROGEN CORPORATION 2004-04-22 US disclosed
US-20040048913-A1 Substituted biaryl amides as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2004-03-11 US disclosed
WO-2004018460-A1 AMINO METHYL IMIDAZOLES AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2004-03-04 WO disclosed
US-20040014782-A1 Combination therapy for the treatment of diseases involving inflammatory components NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2004-01-22 US disclosed
US-20040006069-A1 Substituted tetrahydroisoquinolines as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2004-01-08 US disclosed
WO-2003082829-A1 NEW ARYL IMIDAZOLES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2003-10-09 WO disclosed
WO-2003062209-A2 SUBSTITUTED QUINAZOLIN-4-YLAMINE ANALOGUES AS MODULATORS OF CAPSAICIN NEUROGEN CORPORATION (US) 2003-07-31 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 (11 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-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES HRH3, HRH4, HRH2 MEN1 4419/4885KMT2A 1417/4885GRM2 256/4885
US-20070105865-A1 Substituted bicyclic quinazolin-4-ylamine derivatives PIGS, HRH4, GPR35 MEN1 4436/4885KMT2A 2511/4885GRM2 193/4885
US-20080015183-A1 SUBSTITUTED QUINAZOLIN-4-YLAMINE ANALOGUES PIGS, HRH4, GPR88 MEN1 3817/4885KMT2A 2200/4885GRM2 259/4885
US-20040048913-A1 Substituted biaryl amides as C5a receptor modulators C5AR1, C5AR2, C3AR1 MEN1 2253/4885KMT2A 4285/4885GRM2 1051/4885
US-20040006069-A1 Substituted tetrahydroisoquinolines as C5a receptor modulators C5AR1, C3AR1, C5AR2 MEN1 1584/4885KMT2A 4067/4885GRM2 1495/4885
US-20040014782-A1 Combination therapy for the treatment of diseases involving inflammatory components C5AR1, C5AR2, C3AR1 MEN1 2586/4885KMT2A 4753/4885GRM2 1039/4885
US-20070219203-A1 Arylalkylamino-substituted quinazoline analogues PIGS, GPR35, HRH4 MEN1 4625/4885KMT2A 3387/4885GRM2 715/4885
US-20150005293-A1 5-Membered Heterocyclic Amides And Related Compounds GPR35, HCAR2, HCAR1 MEN1 4162/4885KMT2A 3781/4885GRM2 289/4885
US-20040156869-A1 2-substituted quinazolin-4-ylamine analogues PIGS, HRH4, GPR88 MEN1 3835/4885KMT2A 2098/4885GRM2 164/4885
US-20040077653-A1 Imidazol-1-ylmethyl pyridazine derivatives GABRA5, GABRA1, GABRA2 MEN1 4010/4885KMT2A 2248/4885GRM2 34/4885
US-20040106616-A1 Substituted quinazolin-4-ylamine analogues PIGS, HRH4, GPR88 MEN1 3714/4885KMT2A 2473/4885GRM2 210/4885

“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.