SCHEMBL317413

SCHEMBL317413

FC(F)(F)c1ccc2c(Cl)ccnc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.51
NCF1 P14598 1/20 0.51
PARP1 P09874 1/20 0.49
GAK O14976 1/20 0.46
GRM4 Q14833 1/20 0.45
GSK3A P49840 4/20 0.44
GSK3B P49841 4/20 0.44
CLK4 Q9HAZ1 4/20 0.44
PRKD3 O94806 2/20 0.44
MAP4K4 O95819 2/20 0.44
KDR P35968 2/20 0.44
AURKB Q96GD4 2/20 0.44
PRKD2 Q9BZL6 2/20 0.44
DYRK3 O43781 2/20 0.44
DYRK1A Q13627 2/20 0.44
STK17A Q9UEE5 2/20 0.44
CLK2 P49760 2/20 0.44
CDK5 Q00535 2/20 0.44
PLK4 O00444 1/20 0.44
CHEK2 O96017 1/20 0.44

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
SCHEMBL29878151 1.00 ADRB2 (0.51) ADRB2NCF1PARP1GAKGRM4
Quinoline SCHEMBL28878177 0.87 ALDH1A1 (0.46) ADRB2NCF1PARP1GAKGRM4
SCHEMBL19890011 0.86 AAK1 (0.40) ADRB2NCF1PARP1GAKGRM4
SCHEMBL30050271 0.86 CCNC (0.48) ADRB2NCF1GAKGSK3BCLK4
SCHEMBL317086 0.86 CCNC (0.48) ADRB2NCF1GAKGSK3BCLK4
SCHEMBL11726448 0.84 TSHR (0.45) ADRB2NCF1NR4A2SOS2
SCHEMBL15043743 0.82 FGFR2 (0.41) ADRB2NCF1GAKAAK1KIF11
SCHEMBL30174440 0.80 ADRB2 (0.52) ADRB2NCF1PARP1GAKGRM4
SCHEMBL22854 0.80 ADRB2 (0.52) ADRB2NCF1PARP1GAKGRM4
SCHEMBL18582354 0.80 ADRB2 (0.52) ADRB2NCF1PARP1GAKGRM4

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 391 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-2173721-B1 A REGIOSELECTIVE COPPER CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI SA (FR) 2011-12-28 EP claimed
EP-2173747-B1 A REGIOSELECTIVE METAL CATALYZED SYNTHESIS OF ANNELATED BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI SA (FR) 2011-12-21 EP claimed
US-20100261909-A1 Regioselective copper catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI-AVENTIS (FR) 2010-10-14 US claimed
US-20100216988-A1 Regioselective metal catalyzed synthesis of annelated benzimidazoles and azabenzimidazoles SANOFI-AVENTIS (FR) 2010-08-26 US claimed
EP-2173721-A1 A REGIOSELECTIVE COPPER CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES Sanofi-Aventis (FR) 2010-04-14 EP claimed
EP-2173747-A1 A REGIOSELECTIVE METAL CATALYZED SYNTHESIS OF ANNELATED BENZIMIDAZOLES AND AZABENZIMIDAZOLES Sanofi-Aventis (FR) 2010-04-14 EP claimed
CN-101687815-A Regioselective copper catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI AVENTIS 2010-03-31 CN claimed
CN-101687865-A A regioselective metal catalyzed synthesis of annelated benzimidazoles and azabenzimidazoles SANOFI AVENTIS 2010-03-31 CN claimed
WO-2009000413-A1 A REGIOSELECTIVE COPPER CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI-AVENTIS (FR) 2008-12-31 WO claimed
WO-2009000412-A1 A REGIOSELECTIVE METAL CATALYZED SYNTHESIS OF ANNELATED BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI AVENTIS (FR) 2008-12-31 WO claimed
US-5939568-A Accelerated catalysis of olefinic epoxidations THE SCRIPPS RESEARCH INSTITUTE (US) 1999-08-17 US claimed
US-5897940-A Ink jet transparencies XEROX CORPORATION (US) 1999-04-27 US claimed
WO-1998033786-A9 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS 1998-12-30 WO claimed
WO-1998033786-A1 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS THE SCRIPPS RESEARCH INSTITUTE (US) 1998-08-06 WO claimed
US-5744273-A Laminatable backing substrates containing fluoro compounds for improved toner flow XEROX CORPORATION (US) 1998-04-28 US claimed
US-4849342-A Method for carrying out enzyme assays SAVYON DIAGNOSTICS LIMITED (IL) 1989-07-18 US claimed
EP-0196743-A2 Stable chemical compositions containing chromogenic materials and peroxides, and method for obtaining them SAVYON DIAGNOSTICS LTD. (IL) 1986-10-08 EP claimed
US-12312337-B2 Compounds and methods for treating cancer ANTIDOTE IP HOLDINGS, LLC (US) 2025-05-27 US disclosed
US-3935229-A ANALGESIC, ANTIINFLAMMATORY SYNTHELABO (FR) 1976-01-27 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 (3 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-20100261909-A1 Regioselective copper catalyzed synthesis of benzimidazoles and azabenzimidazoles AZI2, NISCH, UQCRB ADRB2 925/4885NCF1 432/4885PARP1 694/4885
US-12312337-B2 Compounds and methods for treating cancer AHR, ARNT, HMOX1 ADRB2 574/4885NCF1 565/4885PARP1 897/4885
US-20100216988-A1 Regioselective metal catalyzed synthesis of annelated benzimidazoles and azabenzimidazoles AZI2, NIT2, NISCH ADRB2 599/4885NCF1 629/4885PARP1 376/4885

“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.