SCHEMBL561426

SCHEMBL561426

O=c1[nH]c(=O)c2[nH]c(/C=C/c3ccccc3)nc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 1/20 0.55
▸ TUBB4A P04350 8/20 0.54
▸ TUBB P07437 8/20 0.54
▸ TUBA3C P0DPH7 8/20 0.54
▸ TUBA1B P68363 8/20 0.54
▸ TUBA4A P68366 8/20 0.54
▸ TUBB4B P68371 8/20 0.54
▸ TUBB3 Q13509 8/20 0.54
▸ TUBB2A Q13885 8/20 0.54
▸ TUBB8 Q3ZCM7 8/20 0.54
▸ TUBA3E Q6PEY2 8/20 0.54
▸ TUBA1A Q71U36 8/20 0.54
▸ TUBA1C Q9BQE3 8/20 0.54
▸ TUBB6 Q9BUF5 8/20 0.54
▸ TUBB2B Q9BVA1 8/20 0.54
▸ TUBB1 Q9H4B7 8/20 0.54
▸ NPC1 O15118 4/20 0.49
▸ RAB9A P51151 4/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ ALDH1A1 P00352 2/20 0.49

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
SCHEMBL561427 1.00 ADORA2B (0.55) ADORA2BTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29112159 0.76 KDM4E (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7450026 0.73 KMT2A (0.52) TUBB1ALDH1A1KMT2AMEN1PKM
SCHEMBL7450036 0.73 KMT2A (0.52) TUBB1ALDH1A1KMT2AMEN1PKM
SCHEMBL7402271 0.72 MAPT (0.48) ADORA2BRAB9AKDM4EALDH1A1LMNA
SCHEMBL378879 0.71 ADORA2B (1.00) ADORA2BALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL1508832 0.70 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1508835 0.70 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL789316 0.69 NPC1 (0.50) NPC1RAB9AKDM4EALDH1A1KMT2A
SCHEMBL789315 0.69 NPC1 (0.50) NPC1RAB9AKDM4EALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9868705-B2 Tetra-aryl cyclobutane inhibitors of androgen receptor action for the treatment of hormone refractory cancer THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-01-16 — — US disclosed
US-20160229811-A1 TETRA-ARYL CYCLOBUTANE INHIBITORS OF ANDROGEN RECEPTOR ACTION FOR THE TREATMENT OF HORMONE REFRACTORY CANCER DUKE UNIVERSITY 2016-08-11 — — US disclosed
WO-2015048246-A1 TETRA-ARYL CYCLOBUTANE INHIBITORS OF ANDROGEN RECEPTOR ACTION FOR THE TREATMENT OF HORMONE REFRACTORY CANCER THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2015-04-02 — — WO disclosed
EP-2097415-B1 8-ETHINYLXANTHINE DERIVATIVES AS SELECTIVE A2A RECEPTOR ANTAGONISTS UNIV BONN (DE) 2014-10-29 — — EP disclosed
US-20120309774-A1 SELECTIVE ANTAGONISTS OF A2A ADENOSINE RECEPTORS ADENOSINE THERAPEUTICS, LLC 2012-12-06 — — US disclosed
US-8153781-B2 Dendrimer conjugates of agonists and antagonists of the GPCR superfamily THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-04-10 — — US disclosed
US-20120035192-A1 SELECTIVE ANTAGONISTS OF A2A ADENOSINE RECEPTORS ADENOSINE THERAPEUTICS, LLC 2012-02-09 — — US disclosed
US-8044061-B2 Parkinson's disease, catalepsy, dystonia, dyskinetic syndrome, restless legs syndrome, migraine, pain, dementia, neurodegenerative disorders, alcohol withdrawal and/or ischemic conditions such as e.g. stroke or cardiac ischemia. UCB PHARMA GMBH (DE) 2011-10-25 — — US disclosed
US-7985754-B2 Selective antagonists of A2A adenosine receptors TROVIS PHARMACEUTICALS, LLC (US) 2011-07-26 — — US disclosed
EP-2170401-A1 DENDRIMER CONJUGATES OF AGONISTS AND ANTAGONISTS OF THE GPCR SUPERFAMILY Government of the United States of America, Represented by the Secretary, Department of Health and Human Services (US) 2010-04-07 — — EP disclosed
EP-1019427-A1 N?6 -SUBSTITUTED-ADENOSINE-5'-URONAMIDES AS ADENOSINE RECEPTOR MODULATORS Medco Research, Inc. (US) 2000-07-19 — — EP disclosed
EP-0991414-A1 METHODS AND COMPOSITIONS FOR REDUCING ISCHEMIC INJURY OF THE HEART BY ADMINISTERING ADENOSINE RECEPTOR AGONISTS AND ANTAGONISTS TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2000-04-12 — — EP disclosed
US-6048865-A NERVOUS SYSTEM DISORDERS; CARDIOVASCULAR DISORDERS; BRAINDISORDERS MEDCO RESEARCH, INC. (US) 2000-04-11 — — US disclosed
WO-1999020284-A1 METHODS FOR REDUCING ISCHEMIC INJURY OF THE HEART VIA THE SEQUENTIAL ADMINISTRATION OF MONOPHOSPHORYL LIPID A AND ADENOSINE RECEPTOR AGENTS TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1999-04-29 — — WO disclosed
WO-1999006053-A1 N6-SUBSTITUTED-ADENOSINE-5'-URONAMIDES AS ADENOSINE RECEPTOR MODULATORS MEDCO RESEARCH, INC. (US) 1999-02-11 — — WO disclosed
US-5861405-A A2-SELECTIVE ADENOSINE RECEPTOR ANTAGONIST AS ANTIDEPRESSANTS AND CNS STIMULANTS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1999-01-19 — — US disclosed
US-5859019-A Methods for protecting against cardiac ischemia by administering adenosine A2a receptor antagonists TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1999-01-12 — — US disclosed
WO-1998050047-A1 METHODS AND COMPOSITIONS FOR REDUCING ISCHEMIC INJURY OF THE HEART BY ADMINISTERING ADENOSINE RECEPTOR AGONISTS AND ANTAGONISTS TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1998-11-12 — — WO disclosed
WO-1998039008-A1 METHODS AND COMPOSITIONS FOR PROTECTING AGAINST CARDIAC ISCHEMIA BY ADMINISTERING ADENOSINE A2A RECEPTOR ANTAGONISTS TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1998-09-11 — — WO disclosed
WO-1994025462-A1 8-SUBSTITUTED 1,3,7-TRIALKYL-XANTHINE DERIVATIVES AS A2-SELECTIVE ADENOSINE RECEPTOR ANTAGONISTS THE UNITED STATES OF AMERICA, REPRESENTED BY THE (US) 1994-11-10 — — 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-20160229811-A1 TETRA-ARYL CYCLOBUTANE INHIBITORS OF ANDROGEN RECEPTOR ACTION FOR THE TREATMENT OF HORMONE REFRACTORY CANCER AR, FSHR, ESRRB ADORA2B 2230/4885TUBB4A 1609/4885TUBB 676/4885
US-20120309774-A1 SELECTIVE ANTAGONISTS OF A2A ADENOSINE RECEPTORS ADORA2A, ADORA3, ADORA2B ADORA2B 3/4885TUBB4A 3429/4885TUBB 3707/4885
US-20120035192-A1 SELECTIVE ANTAGONISTS OF A2A ADENOSINE RECEPTORS ADORA2A, ADORA3, ADORA2B ADORA2B 3/4885TUBB4A 3429/4885TUBB 3707/4885

“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.

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