SCHEMBL2569574

SCHEMBL2569574

CC(CN)c1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.57
CFTR P13569 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
GOPC Q9HD26 1/20 0.48
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP19A1 P11511 1/20 0.43
CHRNA7 P36544 1/20 0.42
GAA P10253 1/20 0.42
CYP2A6 P11509 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
SCHEMBL14928668 1.00 TAAR1 (0.57) TAAR1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL2604881 0.85 SLC6A2 (0.46) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL29786276 0.85 SLC6A2 (0.46) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL3265767 0.82 CYP2A6 (0.47) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL1245510 0.82 NPC1 (0.53) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL22113733 0.82 NPC1 (0.53) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL14233502 0.82 NPC1 (0.53) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL23689573 0.80 CFTR (0.48) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL21715696 0.80 CFTR (0.48) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL22060305 0.80 CFTR (0.48) CFTRSLC6A2SLC6A4SLC6A3GOPC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3822265-A1 SUBSTITUTED HYDANTOINAMIDES AS ADAMTS7 ANTAGONISTS Bayer AG (DE) 2021-05-19 EP disclosed
CN-108617166-A Protein Kinase Inhibitor Benzolactam Compounds 大冢制药株式会社 2018-10-02 CN disclosed
EP-2382274-B1 AQUEOUS COATING COMPOSITION COMPRISING PYRIDINE GROUP-CONTAINING ELECTROCOAT RESIN BASF COATINGS GMBH (DE) 2015-04-22 EP disclosed
CN-102272246-B Pyridine group-containing electrocoat resin BASF COATINGS GMBH 2014-09-17 CN disclosed
US-8546374-B2 Amino-tetrazoles analogues and methods of use ABBVIE INC. (US) 2013-10-01 US disclosed
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2012-12-27 US disclosed
US-8273773-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-09-25 US disclosed
US-8217067-B2 Antiinflammatory agents, antidepressants, analgesics, purinergic receptor antagonists; neurodegenerative diseases, spinal cord injuries; 1-(2,3-dichlorophenyl)-N-[(2-methylphenyl)methyl]-1H-tetraazol-5-amine ABBOTT LABORATORIES (US) 2012-07-10 US disclosed
CN-102272246-A Pyridine group-containing electrocoat resin 2011-12-07 CN disclosed
EP-2382274-A1 PYRIDINE GROUP-CONTAINING ELECTROCOAT RESIN BASF Coatings GmbH (DE) 2011-11-02 EP disclosed
US-20070049584-A1 Amino-tetrazoles analogues and methods of use ABBVIE INC. 2007-03-01 US disclosed
US-20060052374-A1 Amino-tetrazole analogues and methods of use ABBVIE INC. 2006-03-09 US disclosed
EP-0900207-B1 PYRAZINONE THROMBIN INHIBITORS MERCK & CO INC (US) 2001-11-21 EP disclosed
CN-1222909-A Pyrazinone thrombin inhibitors MERCK & CO INC (US) 1999-07-14 CN disclosed
EP-0900207-A1 PYRAZINONE THROMBIN INHIBITORS Merck & Co., Inc. (US) 1999-03-10 EP disclosed
US-5866573-A Pyrazinone thrombin inhibitors MERCK & CO., INC. (US) 1999-02-02 US disclosed
WO-1997040024-A1 PYRAZINONE THROMBIN INHIBITORS MERCK & CO., INC. (US) 1997-10-30 WO disclosed
EP-0094191-B1 ANTIULCER 2-GUANIDINO-4-(2-SUBSTITUTED-AMINO-4-IMIDAZOLYL)-THIAZOLES AND PROCESS THEREFOR PFIZER INC. (US) 1988-04-20 EP disclosed
US-4435396-A FROM 2-AMINO-5-ACETYLOXAZOLE PFIZER INC. (US) 1984-03-06 US disclosed
EP-0094191-A1 Antiulcer 2-guanidino-4-(2-substituted-amino-4-imidazolyl)-thiazoles and process therefor PFIZER INC. (US) 1983-11-16 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 (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-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 TAAR1 112/4885CFTR 288/4885SLC6A2 629/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 TAAR1 112/4885CFTR 288/4885SLC6A2 629/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 TAAR1 126/4885CFTR 319/4885SLC6A2 670/4885

“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.