SCHEMBL540941

SCHEMBL540941

Cc1cccc2nc(C)n(-c3ccccc3)c12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.61
HTT P42858 1/20 0.61
TSHR P16473 1/20 0.49
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HSD17B10 Q99714 3/20 0.47
HCAR1 Q9BXC0 1/20 0.46
NPC1 O15118 2/20 0.45
MEN1 O00255 1/20 0.45
HCRTR1 O43613 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44
ALOX12 P18054 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
USP2 O75604 1/20 0.42
ALOX15 P16050 1/20 0.42
APOBEC3A P31941 1/20 0.42

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
SCHEMBL10231916 0.83 MAPK1 (0.57) MAPK1HTTTSHRALDH1A1LMNA
SCHEMBL1104846 0.83 ESR1 (0.49) MAPK1HTTALDH1A1LMNAHCAR1
SCHEMBL540675 0.83 MAPK1 (0.57) MAPK1HTTALDH1A1HSD17B10HCAR1
SCHEMBL11901092 0.78 MAPK1 (0.41) MAPK1HTTTSHRALDH1A1LMNA
SCHEMBL16596948 0.77 HDAC1 (0.57) MAPK1HTTALDH1A1LMNAL3MBTL1
SCHEMBL30726108 0.77 HDAC1 (0.57) MAPK1HTTALDH1A1LMNAL3MBTL1
SCHEMBL13784176 0.76 TDP1 (0.47) MAPK1HTTALDH1A1LMNAL3MBTL1
SCHEMBL14582722 0.76 ALDH1A1 (0.47) HTTALDH1A1LMNANPC1MEN1
SCHEMBL540947 0.76 MAPK1 (1.00) MAPK1HTTTSHRALDH1A1LMNA
SCHEMBL3062858 0.76 TSHR (0.60) MAPK1HTTTSHRALDH1A1L3MBTL1

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 209 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
US-8188282-B2 Regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI-AVENTIS (FR) 2012-05-29 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
EP-2044033-A1 A REGIOSELECTIVE PALLADIUM CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES Sanofi-Aventis (FR) 2009-04-08 EP claimed
WO-2009000413-A1 A REGIOSELECTIVE COPPER CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI-AVENTIS (FR) 2008-12-31 WO claimed
WO-2008009348-A1 A REGIOSELECTIVE PALLADIUM CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI-AVENTIS (FR) 2008-01-24 WO claimed
EP-1878724-A1 A regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles sanofi-aventis (FR) 2008-01-16 EP claimed
US-20220407018-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2022-12-22 US disclosed
US-11069862-B2 Material for organic electroluminescence device and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2021-07-20 US disclosed
EP-2338186-B1 ORGANIC LIGHT EMITTING DEVICE AND MATERIALS FOR USE IN SAME UNIVERSAL DISPLAY CORP (US) 2020-02-12 EP disclosed
EP-2174932-B1 Nitrogen-containing heterocycle derivative and organic electroluminescent element using the same IDEMITSU KOSAN CO (JP) 2019-07-03 EP disclosed
US-20080233387-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND DISPLAY DEVICE SONY CORPORATION (JP) 2008-09-25 US disclosed
WO-2008009348-A1 A REGIOSELECTIVE PALLADIUM CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI-AVENTIS (FR) 2008-01-24 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 (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-11069862-B2 Material for organic electroluminescence device and organic electroluminescence device using the same EPCAM, ILK, PPOX MAPK1 915/4885HTT 2670/4885TSHR 4787/4885
US-20220407018-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME PPOX, EPCAM, STOM MAPK1 899/4885HTT 2751/4885TSHR 4783/4885
US-20100261909-A1 Regioselective copper catalyzed synthesis of benzimidazoles and azabenzimidazoles AZI2, NISCH, UQCRB MAPK1 3459/4885HTT 3225/4885TSHR 1319/4885
US-20090203912-A1 Regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles DDT, NIT2, PADI1 MAPK1 3566/4885HTT 2283/4885TSHR 1289/4885

“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.