SCHEMBL578463

SCHEMBL578463

CC1NCc2c[c]ccc21

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.30
MAOA P21397 1/20 0.30
KDM4E B2RXH2 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
DRD3 P35462 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 1/20 0.30
DRD4 P21917 1/20 0.30

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
SCHEMBL4043644 0.81 MAOA (0.46) DRD2MAOAKDM4ECYP2C9TSHR
SCHEMBL29858101 0.71 ALDH1A1 (0.47) KDM4EHSD17B10
SCHEMBL9851308 0.71 ALDH1A1 (0.47) KDM4EHSD17B10
SCHEMBL13302986 0.71 ALDH1A1 (0.47) KDM4EHSD17B10
SCHEMBL3202689 0.70 MAOA (0.46) DRD2MAOAKDM4ECYP2C9TSHR
Hydrochloric Acid SCHEMBL38652726 0.69 MAPT (0.50) KDM4E
Hydrochloric Acid SCHEMBL17671007 0.69 MAPT (0.50) KDM4E
Hydrochloric Acid SCHEMBL17670966 0.69 MAPT (0.50) KDM4E
SCHEMBL5688182 0.68 HTR2A (0.32)
SCHEMBL13460942 0.67 CHRNB2 (0.39) DRD2MAOAKDM4ECYP2C9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11713327-B2 Heteroaryl heterocyclyl compounds for the treatment of autoimmune disease HOFFMANN-LA ROCHE INC. (US) 2023-08-01 US claimed
US-20210300947-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2021-09-30 US claimed
EP-3807270-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2021-04-21 EP claimed
CN-112313228-A Novel heteroaryl heterocyclyl compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2021-02-02 CN claimed
WO-2019238616-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2019-12-19 WO claimed
US-11713327-B2 Heteroaryl heterocyclyl compounds for the treatment of autoimmune disease HOFFMANN-LA ROCHE INC. (US) 2023-08-01 US disclosed
US-20210300947-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2021-09-30 US disclosed
EP-3807270-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2021-04-21 EP disclosed
CN-112313228-A Novel heteroaryl heterocyclyl compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2021-02-02 CN disclosed
WO-2019238616-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2019-12-19 WO disclosed
US-20160045490-A1 USE OF CHEMOTHERAPEUTIC AGENTS BAYER INNOVATION GMBH (DE) 2016-02-18 US disclosed
US-8975275-B2 Use of chemotherapeutic agents BAYER INNOVATION GMBH (DE) 2015-03-10 US disclosed
US-20100330165-A1 USE OF CHEMOTHERAPEUTIC AGENTS BAYER INNOVATION GMBH (DE) 2010-12-30 US disclosed
WO-2010115279-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2010-10-14 WO disclosed
US-20070197501-A1 Use Of Chemotherapeutic Agents BAYER INNOVATION GMBH (DE) 2007-08-23 US disclosed
EP-1408034-B1 Use of Quinolone and Quinolizinone derivatives as chemotherapeutic agents SCHULZ & SCHLIMBACH GBR (DE) 2007-08-08 EP disclosed
EP-1408034-A1 Use of Quinoline derivatives as antibacterial agents Schulz & Schlimbach GbR (DE) 2004-04-14 EP disclosed
US-20030045544-A1 Bactericides for the oral region of animals using 3-carboxy-4-oxo quinoline or 1,8-naphthyridine derivatives or 1-cyclopropyl-3-carboyx-4-oxo quinolizine derivatives BAYER INNOVATION GMBH (DE) 2003-03-06 US disclosed
EP-1244434-A2 USE OF CHEMOTHERAPEUTIC AGENTS Schulz, Hans-Herrmann (DE) 2002-10-02 EP disclosed
WO-2001045679-A2 USE OF CHEMOTHERAPEUTIC AGENTS FOR TOPICAL TREATMENT SCHULZ HANS HERRMANN (DE) 2001-06-28 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 (6 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-20100330165-A1 USE OF CHEMOTHERAPEUTIC AGENTS TYMP, TP53, MSH2 DRD2 4049/4885MAOA 2382/4885KDM4E 4471/4885
US-20030045544-A1 Bactericides for the oral region of animals using 3-carboxy-4-oxo quinoline or 1,8-naphthyridine derivatives or 1-cyclopropyl-3-carboyx-4-oxo quinolizine derivatives NQO2, BROX, CYP4X1 DRD2 662/4885MAOA 2213/4885KDM4E 1901/4885
US-11713327-B2 Heteroaryl heterocyclyl compounds for the treatment of autoimmune disease SSB, UACA, HLA-DRB1 DRD2 2813/4885MAOA 3419/4885KDM4E 2388/4885
US-20210300947-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE SSB, UACA, HLA-DRB1 DRD2 2510/4885MAOA 3790/4885KDM4E 2371/4885
US-20070197501-A1 Use Of Chemotherapeutic Agents TYMP, TP53, MSH2 DRD2 4049/4885MAOA 2382/4885KDM4E 4471/4885
US-20160045490-A1 USE OF CHEMOTHERAPEUTIC AGENTS TYMP, TP53, MSH2 DRD2 4049/4885MAOA 2382/4885KDM4E 4471/4885

“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.