SCHEMBL906879

SCHEMBL906879

COc1ccc2nc(C#N)ccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 1.00
HPGDS O60760 1/20 0.59
NCF1 P14598 1/20 0.59
L3MBTL1 Q9Y468 5/20 0.55
RXFP1 Q9HBX9 2/20 0.55
PPARG P37231 1/20 0.55
NCOA2 Q15596 1/20 0.55
NCOA1 Q15788 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
NCOA3 Q9Y6Q9 1/20 0.55
KDM4E B2RXH2 9/20 0.51
MAPT P10636 5/20 0.51
NPY1R P25929 1/20 0.51
NPY2R P49146 1/20 0.51
CASP1 P29466 6/20 0.50
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
CASP7 P55210 5/20 0.50
MAPK1 P28482 4/20 0.50
TDP1 Q9NUW8 3/20 0.50

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
SCHEMBL21273254 0.82 NQO1 (0.69) NQO1HPGDSNCF1L3MBTL1RXFP1
SCHEMBL9945363 0.81 NQO1 (0.69) NQO1HPGDSNCF1RXFP1NPSR1
SCHEMBL21273257 0.81 NQO1 (0.69) NQO1HPGDSNCF1L3MBTL1RXFP1
SCHEMBL15761508 0.79 NQO1 (0.65) NQO1HPGDSNCF1L3MBTL1RXFP1
SCHEMBL15297243 0.78 NQO1 (0.64) NQO1HPGDSNCF1L3MBTL1RXFP1
SCHEMBL1081492 0.78 NQO1 (0.64) NQO1HPGDSNCF1L3MBTL1RXFP1
SCHEMBL4961333 0.78 NQO1 (0.64) NQO1HPGDSNCF1
SCHEMBL8002770 0.78 NQO1 (0.64) NQO1HPGDSL3MBTL1RXFP1NPSR1
SCHEMBL1640918 0.77 NQO1 (0.63) NQO1HPGDSNCF1L3MBTL1RXFP1
SCHEMBL31499214 0.77 NQO1 (0.62) NQO1HPGDSL3MBTL1RXFP1PPARG

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 78 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3856734-B1 REAGENTS AND PROCESS FOR DIRECT C-H FUNCTIONALIZATION STUDIENGESELLSCHAFT KOHLE GGMBH (DE) 2025-09-24 EP disclosed
US-12065422-B2 Reagents and process for direct C—H functionalization STUDIENGESELLSCHAFT KOHLE GGMBH (DE) 2024-08-20 US disclosed
US-12012394-B2 Alpha-synuclein ligands WASHINGTON UNIVERSITY (US) 2024-06-18 US disclosed
US-20230227425-A1 REAGENTS AND PROCESS FOR DIRECT C-H FUNCTIONALIZATION STUDIENGESELLSCHAFT KOHLE MBH (DE) 2023-07-20 US disclosed
US-20230227425-A1 REAGENTS AND PROCESS FOR DIRECT C-H FUNCTIONALIZATION STUDIENGESELLSCHAFT KOHLE MBH (DE) 2023-07-20 US disclosed
US-11679168-B2 Caspase-3-triggered molecular self-assembling PET probes and uses thereof THE BOARD OF TRUSTEES OF LELAND STANFORD JUNIOR UNIVERSITY (US) 2023-06-20 US disclosed
US-11608322-B2 Reagents and process for direct C—H functionalization STUDIENGESELLSCHAFT KOHLE MBH (DE) 2023-03-21 US disclosed
CN-110256342-B Synthetic method of 2-cyano quinoline derivative 河南省科学院化学研究所有限公司 2022-06-07 CN disclosed
US-20220002263-A1 REAGENTS AND PROCESS FOR DIRECT C-H FUNCTIONALIZATION STUDIENGESELLSCHAFT KOHLE MBH (DE) 2022-01-06 US disclosed
US-20220002263-A1 REAGENTS AND PROCESS FOR DIRECT C-H FUNCTIONALIZATION STUDIENGESELLSCHAFT KOHLE MBH (DE) 2022-01-06 US disclosed
US-20070015790-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2007-01-18 US disclosed
US-20070015790-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2007-01-18 US disclosed
US-20070015790-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2007-01-18 US disclosed
WO-2006130551-A2 LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS PROMEGA CORPORATION (US) 2006-12-07 WO disclosed
WO-2006045416-A1 QUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-05-04 WO disclosed
US-20060084679-A1 Quinoline derivatives as H3R inverse agonists HOFFMANN-LA ROCHE INC. 2006-04-20 US disclosed
US-6329497-B1 ANTITUMOR AGENTS; VIRICIDES AGAINST HUMAN IMMUNODEFICIENCY VIRUS THE SCRIPPS RESEARCH INSTITUTE 2001-12-11 US disclosed
EP-0996458-A4 SANDRAMYCIN ANALOGS SCRIPPS RESEARCH INST (US) 2001-05-02 EP disclosed
EP-0996458-A1 SANDRAMYCIN ANALOGS The Scripps Research Institute (US) 2000-05-03 EP disclosed
WO-1998043663-A1 SANDRAMYCIN ANALOGS THE SCRIPPS RESEARCH INSTITUTE (US) 1998-10-08 WO 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 (8 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-20060084679-A1 Quinoline derivatives as H3R inverse agonists HRH3, HRH4, HRH1 NQO1 537/4885HPGDS 913/4885NCF1 2389/4885
US-20230227425-A1 REAGENTS AND PROCESS FOR DIRECT C-H FUNCTIONALIZATION CFH, DOHH, CTSH NQO1 456/4885HPGDS 1692/4885NCF1 917/4885
US-20220002263-A1 REAGENTS AND PROCESS FOR DIRECT C-H FUNCTIONALIZATION CFH, DOHH, CTSH NQO1 456/4885HPGDS 1692/4885NCF1 917/4885
US-12012394-B2 Alpha-synuclein ligands SNCA, PARK7, LRRK2 NQO1 909/4885HPGDS 3294/4885NCF1 1403/4885
US-11679168-B2 Caspase-3-triggered molecular self-assembling PET probes and uses thereof CASP3, CASP14, CASP6 NQO1 3529/4885HPGDS 2395/4885NCF1 735/4885
US-11608322-B2 Reagents and process for direct C—H functionalization CFH, DOHH, CTSH NQO1 544/4885HPGDS 1852/4885NCF1 936/4885
US-20070015790-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions GLB1, NOD1, PYCARD NQO1 516/4885HPGDS 413/4885NCF1 91/4885
US-12065422-B2 Reagents and process for direct C—H functionalization CFH, DOHH, CTSH NQO1 544/4885HPGDS 1852/4885NCF1 936/4885

“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.