SCHEMBL71856

SCHEMBL71856

[c]1ccnc2cc[nH]c12

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL18925334 0.67
SCHEMBL2000256 0.65
SCHEMBL71025 0.65
SCHEMBL5217 0.65
SCHEMBL857658 0.65
SCHEMBL9582 0.62
SCHEMBL17198 0.62
SCHEMBL31010424 0.62
Hydrochloric Acid SCHEMBL1935427 0.61 MAPK1 (0.95)
SCHEMBL217998 0.60 NR4A2 (0.47)

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

Appears in 2495 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Université de Montréal (CA) 2024-07-18 US claimed
WO-2024140637-A1 OXOISOINDOLINYL SUBSTITUTED PIPERIDINEDIONE DERIVATIVE AND USE THEREOF 标新生物医药科技(上海)有限公司 2024-07-04 WO claimed
US-20240217971-A1 PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE Université de Montréal (CA) 2024-07-04 US claimed
US-12018030-B2 Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors VALO HEALTH, INC. (US) 2024-06-25 US claimed
WO-2024106781-A1 LIPID COMPOUND AND COMPOSITION FOR DELIVERY OF ACTIVE SUBSTANCE 한국생명공학연구원 2024-05-23 WO claimed
US-11987588-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of heart failure and disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2024-05-21 US claimed
US-20240140945-A1 PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE Université de Montréal (CA) 2024-05-02 US claimed
US-20240140954-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES, COMPOSITIONS AND USES THEREOF DANATLAS PHARMACEUTICALS CO., LTD. (CN) 2024-05-02 US claimed
WO-2024077391-A1 THIAZOLO[5,4-D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF UNIVERSITE DE MONTREAL (CA) 2024-04-18 WO claimed
EP-3929194-B1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2024-04-17 EP claimed
EP-1699762-A1 5-AMINO-4-HYDROXY-7-(1H-INDOLMETHYL)-8-METHYLNONAMIDE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION Speedel Experimenta AG (CH) 2006-09-13 EP claimed
WO-2006067589-A1 MACROLIDES PFIZER PRODUCTS INC. (US) 2006-06-29 WO claimed
WO-2005090305-A1 5-AMINO-4-HYDROXY-7-(1H-INDOLMETHYL)-8-METHYLNONAMIDE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION SPEEDEL EXPERIMENTA AG (CH) 2005-09-29 WO claimed
WO-2005090304-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-09-29 WO claimed
WO-2005066132-A1 THERAPEUTIC AGENTS I ASTRAZENECA AB (SE) 2005-07-21 WO claimed
EP-1453801-A1 SUBSTITUTED 2-AMINO-CYCLOALKANECARBOXAMIDES AND THEIR USE AS CYSTEINE PROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-09-08 EP claimed
US-6747053-B2 Heteroaryl nitriles ROCHE PALO ALTO LLC 2004-06-08 US claimed
US-20030212097-A1 Heteroaryl nitriles ROCHE PALO ALTO LLC 2003-11-13 US claimed
WO-2003048123-A1 SUBSTITUTED 2-AMINO-CYCLOALKANECARBOXAMIDES AND THEIR USE AS CYSTEINE PROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-06-12 WO claimed
WO-2003028728-A1 4-(4-SUBSTITUTED PIPERAZINYL-1YL)-BUTYLCARBOXAMIDES AS D3 DOPAMINE SUBTYPE SELECTIVE LIGANDS Richter Gedeon Vegyészeti Gyár Rt. (HU) 2003-04-10 WO claimed