SCHEMBL540850

SCHEMBL540850

Cc1nc2ncccc2n1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.59
HTT P42858 1/20 0.59
BACE1 P56817 1/20 0.49
HSD17B10 Q99714 2/20 0.49
USP2 O75604 1/20 0.49
ALOX15 P16050 1/20 0.49
APOBEC3A P31941 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 2/20 0.46
PI4KA P42356 1/20 0.42
PI4K2B Q8TCG2 1/20 0.42
PI4K2A Q9BTU6 1/20 0.42
PI4KB Q9UBF8 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
TSHR P16473 2/20 0.41
HKDC1 Q2TB90 1/20 0.40

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
SCHEMBL8139749 0.85 MAPK1 (0.42) MAPK1HTTBACE1HSD17B10USP2
SCHEMBL13052994 0.82 KMT2A (0.49) MAPK1HTTBACE1HSD17B10USP2
SCHEMBL8144789 0.82 BACE1 (0.40) MAPK1HTTBACE1HSD17B10USP2
SCHEMBL14947869 0.81 KMT2A (0.59) MAPK1HTTBACE1KMT2AALDH1A1
SCHEMBL10247452 0.81 KMT2A (0.64) MAPK1HTTBACE1KMT2AALDH1A1
SCHEMBL18808868 0.80 TSHR (0.61) MAPK1HTTBACE1HSD17B10ALOX15
SCHEMBL15747069 0.80 KMT2A (0.54) MAPK1HTTBACE1KMT2AALDH1A1
SCHEMBL19851084 0.79 KMT2A (0.45) MAPK1HTTBACE1KMT2AALDH1A1
SCHEMBL13660242 0.79 KMT2A (0.45) MAPK1HTTBACE1KMT2AALDH1A1
SCHEMBL26597940 0.79 KMT2A (0.45) MAPK1HTTBACE1KMT2AALDH1A1

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
EP-2173721-A1 A REGIOSELECTIVE COPPER CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES Sanofi-Aventis (FR) 2010-04-14 EP claimed
US-20090203912-A1 Regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI-AVENTIS (FR) 2009-08-13 US claimed
WO-2009000413-A1 A REGIOSELECTIVE COPPER CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI-AVENTIS (FR) 2008-12-31 WO claimed
EP-1878724-A1 A regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles sanofi-aventis (FR) 2008-01-16 EP claimed
WO-2021068755-A1 COMPOUND HAVING BRD4 INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR AND USE THEREOF 上海海和药物研究开发股份有限公司 2021-04-15 WO disclosed
US-10461262-B2 Condensed cyclic compound and an organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2019-10-29 US disclosed
US-20170179408-A1 CONDENSED CYCLIC COMPOUND AND AN ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-22 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-9512136-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2016-12-06 US disclosed
US-20160149139-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2016-05-26 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-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 (5 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-10461262-B2 Condensed cyclic compound and an organic light-emitting device including the same CRY1, CRY2, CCNA1 MAPK1 892/4885HTT 3766/4885BACE1 744/4885
US-20170179408-A1 CONDENSED CYCLIC COMPOUND AND AN ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNA1 MAPK1 892/4885HTT 3766/4885BACE1 744/4885
US-20100261909-A1 Regioselective copper catalyzed synthesis of benzimidazoles and azabenzimidazoles AZI2, NISCH, UQCRB MAPK1 3459/4885HTT 3225/4885BACE1 4040/4885
US-20090203912-A1 Regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles DDT, NIT2, PADI1 MAPK1 3566/4885HTT 2283/4885BACE1 4506/4885
US-20170148996-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC OPTOELECTRONIC DEVICES COMPRISING THE SAME OR10J3, PPOX, OR51E2 MAPK1 2046/4885HTT 3627/4885BACE1 4026/4885

“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.