SCHEMBL3779809

SCHEMBL3779809

COc1cc2c(cc1Br)CCNC2=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.58
HTR2C P28335 4/20 0.58
HTR2B P41595 4/20 0.58
PARP10 Q53GL7 9/20 0.53
PARP1 P09874 6/20 0.53
PARP11 Q9NR21 4/20 0.53
GRM5 P41594 3/20 0.48
KDM4E B2RXH2 1/20 0.47
F7 P08709 1/20 0.45
F3 P13726 1/20 0.45
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
CD274 Q9NZQ7 1/20 0.42
PDPK1 O15530 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL30882012 0.88 PARP10 (0.53) HTR2AHTR2CHTR2BPARP10PARP1
SCHEMBL4715588 0.88 PARP10 (0.53) HTR2AHTR2CHTR2BPARP10PARP1
SCHEMBL30870989 0.84 PARP10 (0.49) PARP10PARP1PARP11GRM5KDM4E
SCHEMBL28651773 0.83 HTR2A (0.49) HTR2AHTR2CHTR2BGRM5KDM4E
SCHEMBL5807937 0.83 ACHE (0.51) PARP10PARP1PARP11GRM5KDM4E
SCHEMBL15814334 0.83 NCOA1 (0.52) PARP10PARP1PARP11GRM5KDM4E
SCHEMBL31167714 0.83 PARP10 (0.47) HTR2AHTR2CHTR2BPARP10PARP1
SCHEMBL15831695 0.83 PARP10 (0.47) HTR2AHTR2CHTR2BPARP10PARP1
SCHEMBL29990474 0.81 PARP10 (0.49) HTR2AHTR2CHTR2BPARP10PARP1
SCHEMBL24040090 0.81 PARP10 (0.49) HTR2AHTR2CHTR2BPARP10PARP1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4716685-A1 IMIDAZO[4,5-C]PYRIDINE COMPOUNDS FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2026-04-01 EP disclosed
US-20260070906-A1 IMIDAZO[4,5-C]PYRIDINE COMPOUNDS FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2026-03-12 US disclosed
US-20250154107-A1 3,4-Dihydroisoquinolin-1(2H)-Ones Derivatives as STING Antagonists and the Use Thereof BEIGENE SWITZERLAND GMBH (CH) 2025-05-15 US disclosed
WO-2024240726-A1 IMIDAZO[4,5-C]PYRIDINE COMPOUNDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2024-11-28 WO disclosed
EP-4448513-A1 3, 4-DIHYDROISOQUINOLIN-1 (2H) -ONES DERIVATIVES AS STING ANTAGONISTS AND THE USE THEREOF BeiGene Switzerland GmbH (CH) 2024-10-23 EP disclosed
CN-118401514-A 3, 4-Dihydroisoquinolin-1 (2H) -one derivatives as STING antagonists and uses thereof 百济神州有限公司 2024-07-26 CN disclosed
CN-113493438-B Tetrahydroisoquinoline compounds 南京再明医药有限公司 2023-10-20 CN disclosed
WO-2023109912-A1 3, 4-DIHYDROISOQUINOLIN-1 (2H) -ONES DERIVATIVES AS STING ANTAGONISTS AND THE USE THEREOF BEIGENE, LTD. (KY) 2023-06-22 WO disclosed
CN-113493438-A Tetrahydroisoquinoline compounds 江苏先声药业有限公司 2021-10-12 CN disclosed
US-20100331312-A1 MODULATORS OF THE HISTAMINE H3 RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2010-12-30 US disclosed
EP-2265587-A1 MODULATORS OF THE HISTAMINE H3 RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2010-12-29 EP disclosed
WO-2009105206-A1 MODULATORS OF THE HISTAMINE H3 RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2009-08-27 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 (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-20260070906-A1 IMIDAZO[4,5-C]PYRIDINE COMPOUNDS FOR THE TREATMENT OF CANCER TLR1, TLR6, TLR8 HTR2A 783/4885HTR2C 319/4885HTR2B 1779/4885
US-20100331312-A1 MODULATORS OF THE HISTAMINE H3 RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HRH3, HRH4, HRH1 HTR2A 18/4885HTR2C 37/4885HTR2B 51/4885
US-20250154107-A1 3,4-Dihydroisoquinolin-1(2H)-Ones Derivatives as STING Antagonists and the Use Thereof STING1, IRF3, MAVS HTR2A 725/4885HTR2C 1133/4885HTR2B 1412/4885

“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.