SCHEMBL540947

SCHEMBL540947

Cc1nc2ccccc2n1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 1.00
HTT P42858 1/20 1.00
ALDH1A1 P00352 1/20 0.65
TSHR P16473 1/20 0.62
HSD17B10 Q99714 2/20 0.59
KDM4E B2RXH2 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NPC1 O15118 1/20 0.54
GSR P00390 1/20 0.53
NR1H2 P55055 1/20 0.52
NR1H3 Q13133 1/20 0.52
TNF P01375 1/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51
ESR1 P03372 1/20 0.51
ESR2 Q92731 1/20 0.51
PIK3CD O00329 1/20 0.51
PIK3CA P42336 1/20 0.51

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
SCHEMBL9891020 0.89 MAPK1 (0.80) MAPK1HTTALDH1A1TSHRHSD17B10
SCHEMBL19844108 0.89 MAPK1 (0.80) MAPK1HTTALDH1A1TSHRHSD17B10
SCHEMBL10041256 0.89 MAPK1 (0.79) MAPK1HTTALDH1A1TSHRHSD17B10
SCHEMBL7760076 0.89 MAPK1 (0.79) MAPK1HTTALDH1A1TSHRHSD17B10
SCHEMBL13030954 0.88 HTT (0.79) MAPK1HTTALDH1A1TSHRHSD17B10
SCHEMBL1104833 0.87 MAPK1 (0.77) MAPK1HTTALDH1A1TSHRHSD17B10
SCHEMBL9263231 0.85 MAPK1 (0.74) MAPK1HTTALDH1A1TSHRHSD17B10
SCHEMBL22507416 0.85 MAPK1 (0.74) MAPK1HTTALDH1A1TSHRHSD17B10
SCHEMBL13495663 0.85 MAPK1 (0.74) MAPK1HTTALDH1A1TSHRHSD17B10
SCHEMBL15987567 0.85 MAPK1 (0.74) MAPK1HTTALDH1A1TSHRHSD17B10

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 766 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
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
US-11873294-B2 Compound containing anthrone and nitrogen-containing heterocycle and application in OLED devices JIANGSU SUNERA TECHNOLOGY CO., LTD. (CN) 2024-01-16 US disclosed
US-11873294-B2 Compound containing anthrone and nitrogen-containing heterocycle and application in OLED devices JIANGSU SUNERA TECHNOLOGY CO., LTD. (CN) 2024-01-16 US disclosed
US-11818932-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2023-11-14 US disclosed
US-11812660-B2 Organic compound, electroluminescent material and application thereof WUHAN TIANMA MICRO-ELECTRONICS CO., LTD. (CN) 2023-11-07 US disclosed
US-11812660-B2 Organic compound, electroluminescent material and application thereof WUHAN TIANMA MICRO-ELECTRONICS CO., LTD. (CN) 2023-11-07 US disclosed
EP-0276942-B1 6-BETA(SUBSTITUTED)-(S)-HYDROXYMETHYLPENICILLANIC ACIDS AND DERIVATIVES THEREOF PFIZER INC. (US) 1992-04-01 EP disclosed
US-4782050-A BACTERICIDES PFIZER INC. (US) 1988-11-01 US disclosed
EP-0276942-A1 6-Beta(substituted)-(S)-hydroxymethylpenicillanic acids and derivatives thereof PFIZER INC. (US) 1988-08-03 EP disclosed
EP-0138750-B1 PROCESS FOR THE PRODUCTION OF SUBSTITUTED BENZIMIDAZOLES CIBA-GEIGY AG (CH) 1987-09-09 EP disclosed
EP-0138750-A1 Process for the production of substituted benzimidazoles CIBA-GEIGY AG (CH) 1985-04-24 EP disclosed
US-4074046-A REACTING NITROGENEOUS COMPOUND WITH CARBON MONOXIDE AMERICAN CYANAMID COMPANY (US) 1978-02-14 US 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-11812660-B2 Organic compound, electroluminescent material and application thereof MRPS22, RPS3A, MRPS23 MAPK1 1981/4885HTT 2936/4885ALDH1A1 2134/4885
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-11873294-B2 Compound containing anthrone and nitrogen-containing heterocycle and application in OLED devices NLRP1, OCIAD2, OCIAD1 MAPK1 3114/4885HTT 198/4885ALDH1A1 3143/4885

“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.