SCHEMBL999428

SCHEMBL999428

CN1CCC(c2ccc(Br)cc2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.50
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KCNH2 Q12809 1/20 0.45
QDPR P09417 1/20 0.43
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR1E P28566 1/20 0.43
HTR7 P34969 1/20 0.43
HTR2B P41595 1/20 0.43
HTR3A P46098 1/20 0.43
HTR5A P47898 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
LSS P48449 2/20 0.42
MDM2 Q00987 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL21815500 1.00 BRD4 (0.50) BRD4SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL29780550 0.89 SLC6A2 (0.54) BRD4SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL15786484 0.89 SLC6A2 (0.54) BRD4SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL578267 0.88 QDPR (0.55) BRD4QDPRHRH3LSSMDM2
SCHEMBL31222996 0.83 BRD4 (0.43) BRD4QDPRHRH3LSSMDM2
SCHEMBL14544198 0.82 RAB9A (0.50) SLC6A2SLC6A4SLC6A3KCNH2QDPR
SCHEMBL23134213 0.81 LSS (0.60) SLC6A2SLC6A4SLC6A3KCNH2LSS
SCHEMBL14320804 0.81 SLC18A3 (0.46) SLC6A2SLC6A4SLC6A3KCNH2QDPR
SCHEMBL13416053 0.81 NPC1 (0.47) SLC6A2SLC6A4SLC6A3KCNH2QDPR
SCHEMBL8082343 0.81 LSS (0.60) SLC6A2SLC6A4SLC6A3KCNH2LSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12441731-B2 Pyrazolopyrimidine compounds and uses thereof INCYTE CORPORATION (US) 2025-10-14 US disclosed
US-12377080-B2 Allosteric EGFR inhibitors and methods of use thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2025-08-05 US disclosed
EP-3856348-B1 PYRAZOLO[4,3-D]PYRIMIDINE COMPOUNDS AS ALK2 AND/OR FGFR MODULATORS INCYTE CORP (US) 2024-01-03 EP disclosed
US-20220378757-A1 ALLOSTERIC EGFR INHIBITORS AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-12-01 US disclosed
WO-2022226667-A1 SUBSTITUTED AMINO PYRIDINE COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-11-03 WO disclosed
CN-110072860-B Compounds useful as immunomodulators 百时美施贵宝公司 2022-09-02 CN disclosed
EP-3986406-A1 ALLOSTERIC EGFR INHIBITORS AND METHODS OF USE THEREOF Dana-Farber Cancer Institute, Inc. (US) 2022-04-27 EP disclosed
US-20220017521-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF INCYTE CORPORATION 2022-01-20 US disclosed
US-11111247-B2 Pyrazolopyrimidine compounds and uses thereof INCYTE CORPORATION (US) 2021-09-07 US disclosed
WO-2020257607-A1 ALLOSTERIC EGFR INHIBITORS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-12-24 WO disclosed
US-20150038484-A1 INDOLE AND INDAZOLE COMPOUNDS THAT ACTIVATE AMPK PFIZER INC. (US) 2015-02-05 US disclosed
US-8889730-B2 Indole and indazole compounds that activate AMPK PFIZER INC. (US) 2014-11-18 US disclosed
WO-2014140704-A1 INDOLE COMPOUNDS THAT ACTIVATE AMPK PFIZER INC. (US) 2014-09-18 WO disclosed
WO-2013153479-A2 INDOLE AND INDAZOLE COMPOUNDS THAT ACTIVATE AMPK PFIZER INC. (US) 2013-10-17 WO disclosed
US-20130267493-A1 INDOLE AND INDAZOLE COMPOUNDS THAT ACTIVATE AMPK PFIZER INC. (US) 2013-10-10 US disclosed
US-7867980-B2 Lincosamide derivatives and antimicrobial agents comprising the same as active ingredient MEIJI SEIKA KAISHA, LTD. (JP) 2011-01-11 US disclosed
US-7776910-B2 Arylsulfonyl pyrrolidines as 5-HT6 inhibitors ROCHE PALO ALTO LLC (US) 2010-08-17 US disclosed
US-20100184746-A1 LINCOSAMIDE DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD 2010-07-22 US disclosed
EP-2166015-A1 LINCOSAMIDE DERIVATIVE, AND ANTIBACTERIAL AGENT COMPRISING THE SAME AS ACTIVE INGREDIENT Meiji Seika Kaisha Ltd. (JP) 2010-03-24 EP disclosed
US-20080167361-A1 Arylsulfonyl pyrrolidines as 5-HT6 inhibitors ROCHE PALO ALTO LLC 2008-07-10 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 (9 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-12441731-B2 Pyrazolopyrimidine compounds and uses thereof ALK, FGFR1, FGFR2 BRD4 2372/4885SLC6A2 4663/4885SLC6A4 4564/4885
US-12377080-B2 Allosteric EGFR inhibitors and methods of use thereof EGFR, ERBB2, ERBB3 BRD4 2049/4885SLC6A2 4688/4885SLC6A4 4067/4885
US-20080167361-A1 Arylsulfonyl pyrrolidines as 5-HT6 inhibitors HTR6, HTR1B, HTR1F BRD4 564/4885SLC6A2 75/4885SLC6A4 21/4885
US-20220378757-A1 ALLOSTERIC EGFR INHIBITORS AND METHODS OF USE THEREOF EGFR, ERBB2, ERBB3 BRD4 2049/4885SLC6A2 4688/4885SLC6A4 4067/4885
US-20150038484-A1 INDOLE AND INDAZOLE COMPOUNDS THAT ACTIVATE AMPK PRKAG1, PRKAG3, PRKAG2 BRD4 732/4885SLC6A2 3521/4885SLC6A4 2520/4885
US-20130267493-A1 INDOLE AND INDAZOLE COMPOUNDS THAT ACTIVATE AMPK PRKAG1, PRKAG3, PRKAG2 BRD4 732/4885SLC6A2 3521/4885SLC6A4 2520/4885
US-20220017521-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF ALK, FGFR1, FGFR2 BRD4 2372/4885SLC6A2 4663/4885SLC6A4 4564/4885
US-11111247-B2 Pyrazolopyrimidine compounds and uses thereof ALK, FGFR1, FGFR2 BRD4 2372/4885SLC6A2 4663/4885SLC6A4 4564/4885
US-20100184746-A1 LINCOSAMIDE DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT SIRT6, LAS1L, MRPS18A BRD4 412/4885SLC6A2 4144/4885SLC6A4 3956/4885

“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.