SCHEMBL888683

SCHEMBL888683

CC(C)C(=O)c1ccncc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
NAPRT Q6XQN6 1/20 0.52
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
PTGS2 P35354 1/20 0.52
ALDH1A1 P00352 2/20 0.48
LMNA P02545 3/20 0.47
HPGD P15428 2/20 0.47
KDM4E B2RXH2 2/20 0.47
GAA P10253 2/20 0.47
DBH P09172 1/20 0.47
RECQL P46063 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TP53 P04637 2/20 0.45
MPO P05164 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2A6 P11509 1/20 0.45

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
SCHEMBL25139482 0.87 HDAC1 (0.53) CYP1A2CYP3A4MAOAMAOBPTGS2
SCHEMBL12337833 0.82 CYP1A2 (0.51) CYP1A2CYP3A4NAPRTMAOAMAOB
SCHEMBL27480368 0.82 CYP1A2 (0.51) CYP1A2CYP3A4NAPRTMAOAMAOB
SCHEMBL7302432 0.82 CYP1A2 (0.51) CYP1A2CYP3A4NAPRTMAOAMAOB
SCHEMBL1887807 0.82 CYP1A2 (0.51) CYP1A2CYP3A4NAPRTMAOAMAOB
SCHEMBL10121174 0.82 KDM4E (0.62) ALDH1A1LMNAKDM4EGAADBH
SCHEMBL3844697 0.80 NAPRT (0.52) CYP1A2CYP3A4NAPRTMAOAMAOB
Bromide SCHEMBL4188500 0.80 CYP1A2 (0.50) CYP1A2CYP3A4NAPRTMAOAMAOB
Hydrochloric Acid SCHEMBL9425932 0.80 CYP3A4 (0.50) CYP1A2CYP3A4NAPRTMAOAMAOB
Hydrochloric Acid SCHEMBL10500949 0.80 CYP3A4 (0.50) CYP1A2CYP3A4NAPRTMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3244987-A1 SEPARATIONS WITH IONIC LIQUID SOLVENTS Chevron Phillips Chemical Company LP (US) 2017-11-22 EP claimed
WO-2025233901-A1 ACTIVATORS OF PYRUVATE KINASE ISOFORM M2 AND METHODS FOR TREATING NEURODEGENERATIVE DISEASE BIOHAVEN THERAPEUTICS LTD. (VG) 2025-11-13 WO disclosed
US-11912668-B2 GCN2 and perk kinase inhibitors and methods of use thereof DECIPHERA PHARMACEUTICALS, LLC (US) 2024-02-27 US disclosed
US-11912668-B2 GCN2 and perk kinase inhibitors and methods of use thereof DECIPHERA PHARMACEUTICALS, LLC (US) 2024-02-27 US disclosed
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES THE BROAD INSTITUTE, INC. 2024-01-25 US disclosed
US-20230348369-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-11-02 US disclosed
US-20230348369-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-11-02 US disclosed
WO-2023133507-A1 ESTRADIOL PRODRUGS AND METHODS OF USE THEREOF UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-07-13 WO disclosed
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF THE BROAD INSTITUTE, INC. 2023-06-22 US disclosed
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF THE BROAD INSTITUTE, INC. 2023-06-22 US disclosed
US-20080014207-A1 IAP BIR domain binding compounds AEGERA THERAPEUTICS, INC. (CA) 2008-01-17 US disclosed
US-20080008681-A1 MACROCYCLIC HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-01-10 US disclosed
US-20070299078-A1 Quinoxalinyl Macrocyclic Hepatitis C Virus Serine Protease Inhibitors ENANTA PHARMACEUTICALS, INC. 2007-12-27 US disclosed
US-20070219140-A1 IAP BIR domain binding compounds AEGERA THERAPEUTICS, INC. (CA) 2007-09-20 US disclosed
US-20070203183-A1 Diaryl piperidines as CB1 modulators SCHERING CORPORATION 2007-08-30 US disclosed
US-20070167456-A1 Mercaptoimidazoles as ccr2 receptor antagonists LOMMEN GUY R E 2007-07-19 US disclosed
US-20070167456-A1 Mercaptoimidazoles as ccr2 receptor antagonists LOMMEN GUY R E 2007-07-19 US disclosed
US-20070093428-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents; death receptor agonist; AEGERA THERAPEUTICS, INC. (CA) 2007-04-26 US disclosed
US-20070093429-A1 IAP BIR domain binding compounds AEGERA THERAPEUTICS, INC. (CA) 2007-04-26 US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 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 (13 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-20070093429-A1 IAP BIR domain binding compounds BIRC5, BIRC2, BIRC3 CYP1A2 4786/4885CYP3A4 4804/4885NAPRT 1683/4885
US-20080014207-A1 IAP BIR domain binding compounds BIRC5, BIRC2, BIRC3 CYP1A2 4786/4885CYP3A4 4804/4885NAPRT 1683/4885
US-20070203183-A1 Diaryl piperidines as CB1 modulators CNR1, CNR2, GPR119 CYP1A2 1463/4885CYP3A4 1734/4885NAPRT 979/4885
US-20070093428-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents; death receptor agonist; BAD, BIRC5, BAX CYP1A2 4646/4885CYP3A4 4719/4885NAPRT 2372/4885
US-20230348369-A1 NAMPT MODULATORS NAMPT, NNT, NAPRT CYP1A2 1682/4885CYP3A4 2422/4885NAPRT 3/4885
US-20070219140-A1 IAP BIR domain binding compounds BIRC5, BIRC2, BIRC8 CYP1A2 4724/4885CYP3A4 4753/4885NAPRT 1385/4885
US-20080008681-A1 MACROCYCLIC HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS PRSS1, SPINT2, TMPRSS4 CYP1A2 437/4885CYP3A4 71/4885NAPRT 1572/4885
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES COASY, JMJD7, PTMS CYP1A2 2469/4885CYP3A4 2815/4885NAPRT 694/4885
US-20070299078-A1 Quinoxalinyl Macrocyclic Hepatitis C Virus Serine Protease Inhibitors PRSS1, SPINT2, CTSC CYP1A2 467/4885CYP3A4 47/4885NAPRT 1154/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 CYP1A2 1069/4885CYP3A4 1880/4885NAPRT 3767/4885
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF ERBB2, ACP1, TK1 CYP1A2 4154/4885CYP3A4 4637/4885NAPRT 2446/4885
US-11912668-B2 GCN2 and perk kinase inhibitors and methods of use thereof EIF2AK4, GCN1, MAPKAPK2 CYP1A2 2970/4885CYP3A4 4070/4885NAPRT 3615/4885
US-20070167456-A1 Mercaptoimidazoles as ccr2 receptor antagonists CCR2, CCR1, CCR5 CYP1A2 913/4885CYP3A4 875/4885NAPRT 569/4885

“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.