SCHEMBL540893

SCHEMBL540893

Cc1nc2cccnc2n1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.59
HTT P42858 1/20 0.59
PDE10A Q9Y233 2/20 0.59
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
POLB P06746 1/20 0.51
PABPC1 P11940 1/20 0.51
TP53 P04637 3/20 0.51
MAPT P10636 2/20 0.50
RXFP1 Q9HBX9 1/20 0.50
AKT1 P31749 1/20 0.50
AKT2 P31751 1/20 0.50
PDE4B Q07343 1/20 0.49
ALOX12 P18054 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PI4KA P42356 1/20 0.49
PI4K2B Q8TCG2 1/20 0.49
PI4K2A Q9BTU6 1/20 0.49
PI4KB Q9UBF8 1/20 0.49

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
SCHEMBL13052922 0.88 PDE10A (0.56) PDE10AMEN1KMT2APOLBPABPC1
SCHEMBL7364877 0.85 PDE10A (0.57) PDE10AMEN1KMT2APOLBPABPC1
SCHEMBL13052928 0.84 TP53 (0.51) MAPK1HTTPDE10AMEN1KMT2A
SCHEMBL13052984 0.82 AKT1 (0.53) MAPK1HTTPDE10AMEN1KMT2A
SCHEMBL804898 0.82 AKT1 (0.53) MAPK1HTTPDE10AMEN1KMT2A
SCHEMBL9726854 0.82 PDE4B (0.55) PDE10AMEN1KMT2APOLBPABPC1
SCHEMBL804897 0.81 ALDH1A1 (0.60) MEN1KMT2APOLBPABPC1MAPT
SCHEMBL8805096 0.81 ALDH1A1 (0.64) MEN1KMT2APOLBPABPC1MAPT
SCHEMBL17077773 0.81 MEN1 (0.60) MAPK1PDE10AMEN1KMT2APOLB
SCHEMBL12853962 0.80 AKT1 (0.63) MEN1KMT2APOLBPABPC1AKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735586-B2 Regioselective copper catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI (FR) 2014-05-27 US claimed
EP-2044033-B1 A REGIOSELECTIVE PALLADIUM CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI SA (FR) 2012-02-08 EP claimed
EP-2173721-B1 A REGIOSELECTIVE COPPER CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI SA (FR) 2011-12-28 EP claimed
US-20100261909-A1 Regioselective copper catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI-AVENTIS (FR) 2010-10-14 US claimed
US-20090203912-A1 Regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI-AVENTIS (FR) 2009-08-13 US claimed
EP-1878724-A1 A regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles sanofi-aventis (FR) 2008-01-16 EP claimed
US-20210202864-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT KYULUX, INC. (JP) 2021-07-01 US disclosed
EP-3843167-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT Kyushu University, National University Corporation (JP) 2021-06-30 EP disclosed
US-20200235313-A1 COMPOUND, LIGHT-EMITTING MATERIAL AND LIGHT-EMITTING ELEMENT KYULUX, INC. (JP) 2020-07-23 US disclosed
US-10547014-B2 Composition of matter for use in organic light-emitting diodes KYULUX, INC. (JP) 2020-01-28 US disclosed
US-20190006606-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES Kyulux North America, Inc. 2019-01-03 US disclosed
US-20170148996-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC OPTOELECTRONIC DEVICES COMPRISING THE SAME WUHAN TIANMA MICROELECTRONICS CO., LTD.SHANGHAI BRANCH (CN) 2017-05-25 US disclosed
US-20170148996-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC OPTOELECTRONIC DEVICES COMPRISING THE SAME WUHAN TIANMA MICROELECTRONICS CO., LTD.SHANGHAI BRANCH (CN) 2017-05-25 US disclosed
US-20090203912-A1 Regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI-AVENTIS (FR) 2009-08-13 US disclosed
US-20090203912-A1 Regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI-AVENTIS (FR) 2009-08-13 US disclosed
WO-2009000413-A1 A REGIOSELECTIVE COPPER CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI-AVENTIS (FR) 2008-12-31 WO disclosed
WO-2009000413-A1 A REGIOSELECTIVE COPPER CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI-AVENTIS (FR) 2008-12-31 WO disclosed
WO-2008009348-A1 A REGIOSELECTIVE PALLADIUM CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI-AVENTIS (FR) 2008-01-24 WO disclosed
EP-1878724-A1 A regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles sanofi-aventis (FR) 2008-01-16 EP disclosed
EP-1878724-A1 A regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles sanofi-aventis (FR) 2008-01-16 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 (7 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-10547014-B2 Composition of matter for use in organic light-emitting diodes CRY2, ALDH1A2, CYBA MAPK1 4648/4885HTT 1733/4885PDE10A 3396/4885
US-20100261909-A1 Regioselective copper catalyzed synthesis of benzimidazoles and azabenzimidazoles AZI2, NISCH, UQCRB MAPK1 3459/4885HTT 3225/4885PDE10A 3849/4885
US-20190006606-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, ALDH1A2, CYBA MAPK1 4648/4885HTT 1733/4885PDE10A 3396/4885
US-20200235313-A1 COMPOUND, LIGHT-EMITTING MATERIAL AND LIGHT-EMITTING ELEMENT LBR, CTNND1, NCL MAPK1 3977/4885HTT 1638/4885PDE10A 4697/4885
US-20090203912-A1 Regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles DDT, NIT2, PADI1 MAPK1 3566/4885HTT 2283/4885PDE10A 1638/4885
US-20170148996-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC OPTOELECTRONIC DEVICES COMPRISING THE SAME OR10J3, PPOX, OR51E2 MAPK1 2046/4885HTT 3627/4885PDE10A 1929/4885
US-20210202864-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT LEF1, EMC1, EEA1 MAPK1 462/4885HTT 3904/4885PDE10A 4204/4885

“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.