SCHEMBL8082857

SCHEMBL8082857

Cc1ncnc2nccnc12

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.32
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31
NPC1 O15118 1/20 0.30
HSP90AA1 P07900 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL24122008 0.72 CHRM4 (0.36)
SCHEMBL13841389 0.71 LMNA (0.42) NPC1
SCHEMBL2007373 0.70 ADORA2A (0.32) ADORA2A
SCHEMBL4385353 0.70 ADORA2A (0.37) ADORA2A
SCHEMBL314773 0.70 ADORA2A (0.32) ADORA2A
SCHEMBL23618574 0.70 ADORA2A (0.32) ADORA2A
SCHEMBL314774 0.70 ADORA2A (0.32) ADORA2A
SCHEMBL2007375 0.70 ADORA2A (0.52) ADORA2A
SCHEMBL4573957 0.70 ADORA2A (0.32) ADORA2A
SCHEMBL28188932 0.70 ADORA2A (0.37) ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3960737-B1 BENZOCARBAZOLE-BASED COMPOUNDS AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING THEM LG CHEMICAL LTD (KR) 2023-08-09 EP disclosed
US-20230172057-A1 HETEROCYCLIC COMPOUND CONTAINING HETEROATOM SUBSTITUTED FLUORENE AND OPTOELECTRONIC DEVICE WUHAN TIANMA MICRO-ELECTRONICS CO., LTD. (CN) 2023-06-01 US disclosed
US-20230138901-A1 COMPOUND HAVING KHK INHIBITORY EFFECT HANGZHOU ZHONGMEIHUADONG PHARMACEUTICAL CO., LTD. (CN) 2023-05-04 US disclosed
WO-2021254493-A1 CYCLIC COMPOUND HAVING ANTI-TUMOR ACTIVITY AND USE THEREOF 上海翊石医药科技有限公司 2021-12-23 WO disclosed
US-11173145-B2 Compounds useful as inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan dioxygenase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-11-16 US disclosed
WO-2021129737-A1 COMPOUND HAVING KHK INHIBITORY EFFECT 南京明德新药研发有限公司 2021-07-01 WO disclosed
EP-3725785-A1 GLUTARIMIDE DERIVATIVES, USE THEREOF, PHARMACEUTICAL COMPOSITION BASED THEREON AND METHODS FOR PRODUCING GLUTARIMIDE DERIVATIVES Obschestvo S Ogranichennoi Otvetstennostiyu "Pharmenterprises" (RU) 2020-10-21 EP disclosed
EP-3722290-A1 GLUTARIMIDE DERIVATIVES, USE THEREOF, PHARMACEUTICAL COMPOSITION BASED THEREON AND METHODS FOR PRODUCING GLUTARIMIDE DERIVATIVES Obschestvo S Ogranichennoi Otvetstennostiyu "Pharmenterprises" (RU) 2020-10-14 EP disclosed
WO-2020018670-A1 COMPOUNDS USEFUL AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN DIOXYGENASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-01-23 WO disclosed
US-10377739-B2 Glutarimide derivatives, use thereof, pharmaceutical composition based thereon and methods for producing glutarimide derivatives Obschestvo S Ogranichennoi Otvetstvennostiyu “Pharmenterprises” (RU) 2019-08-13 US disclosed
US-20070010669-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK, THE 2007-01-11 US disclosed
US-20070010669-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK, THE 2007-01-11 US disclosed
US-20060167103-A1 Methods of treating cancer with HDAC inhibitors ATON PHARMA, INC. (US) 2006-07-27 US disclosed
US-20060167103-A1 Methods of treating cancer with HDAC inhibitors ATON PHARMA, INC. (US) 2006-07-27 US disclosed
US-20040132825-A1 Methods of treating cancer with HDAC inhibitors NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2004-07-08 US disclosed
US-20040132825-A1 Methods of treating cancer with HDAC inhibitors NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2004-07-08 US disclosed
US-20040127523-A1 safe, daily dosing regimen of histone deacetylase (HDAC) inhibitors having favorable pharmacokinetic profiles such as high bioavailability and surprisingly give rise to high blood levels of the active compounds over an extended period of time NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2004-07-01 US disclosed
US-20040127523-A1 safe, daily dosing regimen of histone deacetylase (HDAC) inhibitors having favorable pharmacokinetic profiles such as high bioavailability and surprisingly give rise to high blood levels of the active compounds over an extended period of time NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2004-07-01 US disclosed
CN-1503793-A N-substituted non-aryl-heterocyclic NMDA/NR2B antagonists 2004-06-09 CN disclosed
WO-2003032921-A2 TREATMENT OF NEURODEGENERATIVE DISEASES AND CANCER OF THE BRAIN SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2003-04-24 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 (8 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-10377739-B2 Glutarimide derivatives, use thereof, pharmaceutical composition based thereon and methods for producing glutarimide derivatives GCDH, GLS, HADH ADORA2A 4321/4885CCR1 4310/4885CCR5 2619/4885
US-20060167103-A1 Methods of treating cancer with HDAC inhibitors HDAC5, HDAC1, HDAC4 ADORA2A 3875/4885CCR1 2516/4885CCR5 2417/4885
US-20040127523-A1 safe, daily dosing regimen of histone deacetylase (HDAC) inhibitors having favorable pharmacokinetic profiles such as high bioavailability and surprisingly give rise to high blood levels of the active compounds over an extended period of time HDAC1, HDAC5, HDAC9 ADORA2A 2466/4885CCR1 2270/4885CCR5 1770/4885
US-20040132825-A1 Methods of treating cancer with HDAC inhibitors HDAC5, HDAC9, HDAC1 ADORA2A 2200/4885CCR1 2051/4885CCR5 1989/4885
US-20230172057-A1 HETEROCYCLIC COMPOUND CONTAINING HETEROATOM SUBSTITUTED FLUORENE AND OPTOELECTRONIC DEVICE CHRM1, CHRM2, CHRM4 ADORA2A 654/4885CCR1 315/4885CCR5 600/4885
US-20070010669-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof ACIN1, HDAC3, HDAC1 ADORA2A 3033/4885CCR1 906/4885CCR5 1976/4885
US-11173145-B2 Compounds useful as inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan dioxygenase TPH2, TPH1, IDO2 ADORA2A 271/4885CCR1 4321/4885CCR5 2654/4885
US-20230138901-A1 COMPOUND HAVING KHK INHIBITORY EFFECT KHK, KHDRBS1, KHSRP ADORA2A 4466/4885CCR1 4755/4885CCR5 4684/4885

“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.