SCHEMBL3469386

SCHEMBL3469386

Brc1nccn2ccnc12

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.45
HTR2C P28335 1/20 0.36
AXL P30530 1/20 0.34
ADORA2A P29274 1/20 0.34
DYRK1A Q13627 2/20 0.32

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
SCHEMBL103894 0.75 HTR2C (0.53) NUDT1L3MBTL1HTR2CADORA2A
SCHEMBL12559813 0.74 NUDT1 (0.52) NUDT1L3MBTL1HTR2CAXLADORA2A
SCHEMBL418310 0.73 NUDT1 (0.46) NUDT1L3MBTL1HTR2CAXLADORA2A
SCHEMBL12777856 0.72 L3MBTL1 (0.41) NUDT1L3MBTL1HTR2C
SCHEMBL11261436 0.72 L3MBTL1 (0.44) NUDT1L3MBTL1HTR2C
SCHEMBL14538474 0.72 L3MBTL1 (0.44) NUDT1L3MBTL1HTR2C
SCHEMBL18248770 0.72 L3MBTL1 (0.53) NUDT1L3MBTL1HTR2CADORA2A
SCHEMBL21471528 0.72 L3MBTL1 (0.44) NUDT1L3MBTL1HTR2C
Hydrochloric Acid SCHEMBL30690353 0.72 NUDT1 (0.45) NUDT1L3MBTL1HTR2CAXLADORA2A
SCHEMBL31240877 0.69 NUDT1 (0.42) NUDT1L3MBTL1HTR2CADORA2ADYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260085073-A1 PYRAZOLYLCARBOXAMIDE COMPOUNDS AND THEIR USE IN THERAPY HOTSPOT THERAPEUTICS INC (US) 2026-03-26 US disclosed
US-20180370973-A1 FUSED HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2018-12-27 US disclosed
WO-2016101119-A1 FUSED HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-06-30 WO disclosed
WO-2016106106-A2 FUSED HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-06-30 WO disclosed
WO-2016106106-A2 FUSED HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-06-30 WO disclosed
WO-2010069684-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-06-24 WO disclosed
WO-2005085252-A1 IMIDAZO ‘1,2-A’ PYRAZINE COMPOUNDS WHICH INTERACT WITH PROTEIN KINASES BIOFOCUS DISCOVERY LIMITED (GB) 2005-09-15 WO disclosed
US-4408047-A ADRENERGIC BLOCKING MERCK & CO., INC. (US) 1983-10-04 US disclosed
EP-0013914-B1 PIPERAZINYL-IMIDAZO(1,2-A)PYRAZINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK & CO. INC. (US) 1982-12-15 EP disclosed
US-4330543-A AS ADRENERGIC BLOCKING AGENTS MERCK & CO., INC. (US) 1982-05-18 US disclosed
US-4242344-A ANOREXIGENIC, HYPOTENSIVE, ANTISMOKING, AND ANTIARRYTHMIA AGENTS; ANTIDEPRESSANTS; ANALGESICS MERCK & CO., INC. (US) 1980-12-30 US disclosed
US-4233301-A ADRENERGIC BLOCKING AGENTS MERCK & CO., INC. (US) 1980-11-11 US disclosed
EP-0013914-A1 Piperazinyl-imidazo(1,2-a)pyrazine derivatives, process for their preparation and pharmaceutical compositions containing them MERCK & CO. INC. (US) 1980-08-06 EP disclosed
US-4166851-A ADRENERGIC BLOCKING AGENTS MERCK & CO., INC. (US) 1979-09-04 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 (2 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-20180370973-A1 FUSED HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR NUDT1 3079/4885L3MBTL1 4347/4885HTR2C 36/4885
US-20260085073-A1 PYRAZOLYLCARBOXAMIDE COMPOUNDS AND THEIR USE IN THERAPY MALT1, BCL6, BCL3 NUDT1 2785/4885L3MBTL1 1074/4885HTR2C 3278/4885

“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.