SCHEMBL541176

SCHEMBL541176

Cc1cccc2c1nc(C)n2-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.61
HTT P42858 1/20 0.61
ALDH1A1 P00352 1/20 0.47
PI4KA P42356 1/20 0.46
PI4K2B Q8TCG2 1/20 0.46
PI4K2A Q9BTU6 1/20 0.46
PI4KB Q9UBF8 1/20 0.46
EGLN1 Q9GZT9 1/20 0.45
TSHR P16473 2/20 0.45
DCTPP1 Q9H773 1/20 0.45
HSD17B10 Q99714 2/20 0.44
USP2 O75604 1/20 0.42
ALOX15 P16050 1/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HKDC1 Q2TB90 1/20 0.41
NPC1 O15118 1/20 0.40
NR1H2 P55055 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
SCHEMBL12472615 0.83 MAPK1 (0.45) MAPK1HTTALDH1A1TSHRDCTPP1
SCHEMBL1104829 0.83 ESR1 (0.49) MAPK1HTTALDH1A1PI4KAPI4K2B
SCHEMBL23059157 0.81 HTT (0.56) MAPK1HTTALDH1A1PI4KAPI4K2B
SCHEMBL900719 0.80 NR1H2 (0.58) MAPK1HTTALDH1A1PI4KAPI4K2B
Formamide SCHEMBL28799049 0.80 HTT (0.40) MAPK1HTTALDH1A1EGLN1TSHR
SCHEMBL9664257 0.79 MAPK1 (0.53) MAPK1HTTALDH1A1PI4KAPI4K2B
SCHEMBL12473087 0.78 MAPK1 (0.41) MAPK1HTTALDH1A1PI4KAPI4K2B
SCHEMBL10815729 0.78 PPARG (0.47) MAPK1HTTPI4KAPI4K2BPI4K2A
SCHEMBL11900890 0.78 MAPK1 (0.41) MAPK1HTTALDH1A1PI4KAPI4K2B
SCHEMBL11900565 0.78 MAPK1 (0.41) MAPK1HTTALDH1A1PI4KAPI4K2B

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 210 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-2174932-B1 Nitrogen-containing heterocycle derivative and organic electroluminescent element using the same IDEMITSU KOSAN CO (JP) 2019-07-03 EP disclosed
US-10026907-B2 Material for organic electroluminescence device and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2018-07-17 US disclosed
US-20080233387-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND DISPLAY DEVICE SONY CORPORATION (JP) 2008-09-25 US 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
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-11069862-B2 Material for organic electroluminescence device and organic electroluminescence device using the same EPCAM, ILK, PPOX MAPK1 915/4885HTT 2670/4885ALDH1A1 1810/4885
US-20220407018-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME PPOX, EPCAM, STOM MAPK1 899/4885HTT 2751/4885ALDH1A1 1724/4885
US-20100261909-A1 Regioselective copper catalyzed synthesis of benzimidazoles and azabenzimidazoles AZI2, NISCH, UQCRB MAPK1 3459/4885HTT 3225/4885ALDH1A1 97/4885
US-20090203912-A1 Regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles DDT, NIT2, PADI1 MAPK1 3566/4885HTT 2283/4885ALDH1A1 182/4885
US-10026907-B2 Material for organic electroluminescence device and organic electroluminescence device using the same EPCAM, ILK, PPOX MAPK1 915/4885HTT 2670/4885ALDH1A1 1810/4885

“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.