SCHEMBL4046146

SCHEMBL4046146

c1ccc(-c2nc3nccnc3[nH]2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.64
METAP1 P53582 1/20 0.64
PI4KA P42356 1/20 0.47
PI4K2B Q8TCG2 1/20 0.47
PI4K2A Q9BTU6 1/20 0.47
PI4KB Q9UBF8 1/20 0.47
GSK3B P49841 3/20 0.47
AURKA O14965 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
CCNB2 O95067 1/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
GSK3A P49840 1/20 0.44
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
CCNB3 Q8WWL7 1/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL10737047 0.81 METAP2 (0.51) METAP2METAP1GSK3BAURKAPRMT5
SCHEMBL10735823 0.81 METAP2 (0.51) METAP2METAP1GSK3BCCNB2CDK1
SCHEMBL10742079 0.80 METAP2 (0.50) METAP2METAP1GSK3BAURKACCNB2
SCHEMBL10753612 0.80 CCNB2 (0.54) METAP2METAP1AURKACCNB2CDK1
SCHEMBL11829946 0.79 GAA (0.50) PI4KAPI4K2BPI4K2API4KBGSK3B
SCHEMBL10738052 0.78 AURKA (0.64) METAP2METAP1GSK3BAURKACCNB2
SCHEMBL10742407 0.78 CCNB2 (0.51) METAP2METAP1GSK3BAURKACCNB2
SCHEMBL10743109 0.78 METAP2 (0.47) METAP2METAP1GSK3BAURKAGSK3A
SCHEMBL10735517 0.78 AURKA (0.64) METAP2METAP1GSK3BAURKACCNB2
SCHEMBL10735581 0.76 AURKA (0.71) METAP2METAP1GSK3BAURKACCNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US claimed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US claimed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP claimed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US claimed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 WO claimed
CN-113430521-A Environment-friendly acidic etching additive suitable for thin line manufacturing and application thereof 深圳市板明科技股份有限公司 2021-09-24 CN disclosed
EP-3042903-B1 Substituted hetero-bicyclic compounds, compositions and medicinal applications thereof IMPETIS BIOSCIENCES LTD (IN) 2019-08-14 EP disclosed
EP-2838898-B1 SUBSTITUTED HETERO-BICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF ADVINUS THERAPEUTICS LTD (IN) 2017-01-18 EP disclosed
EP-3042903-A1 Substituted hetero-bicyclic compounds, compositions and medicinal applications thereof Advinus Therapeutics Limited (IN) 2016-07-13 EP disclosed
US-9233983-B2 Substituted hetero-bicyclic compounds, compositions and medicinal applications thereof ADVINUS THERAPEUTICS LIMITED (IN) 2016-01-12 US disclosed
CN-104662018-A Substituted hetero-bicyclic compounds, compositions and medicinal applications thereof ADVINUS THERAPEUTICS LTD 2015-05-27 CN disclosed
US-20150064196-A1 Substituted Hetero-Bicyclic Compounds, Compositions and Medicinal Applications Thereof IMPETIS BIOSCIENCES LIMITED (IN) 2015-03-05 US disclosed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US disclosed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 WO disclosed
US-4722929-A Novel 2-phenyl-imidazoles and pharmaceutical compositions containing same DR. KARL THOMAE GMBH (DE) 1988-02-02 US disclosed
US-4656171-A 2-phenyl-imidazo-pyrazines, useful as cardiotonics DR. KARL THOMAE GMBH (DE) 1987-04-07 US disclosed
US-4654344-A ALSO AFFECT BLOOD PRESSURE AND MYOCARDIAL CONTRACTIONS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1987-03-31 US disclosed
US-4575505-A Pharmaceutical compositions containing 2-aryltetraazaindenes for treating ulcers or cardiac insufficiency or blood pressure abnormalities MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-03-11 US disclosed
US-4477454-A INDOTROPIC AGENTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-10-16 US disclosed
EP-0093951-A2 2-Aryl-tetraazaindenes MERCK PATENT GmbH (DE) 1983-11-16 EP 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 (3 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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 METAP2 3625/4885METAP1 3011/4885PI4KA 77/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A METAP2 3741/4885METAP1 1932/4885PI4KA 79/4885
US-20150064196-A1 Substituted Hetero-Bicyclic Compounds, Compositions and Medicinal Applications Thereof BTK, MALT1, LCK METAP2 2197/4885METAP1 1098/4885PI4KA 791/4885

“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.