SCHEMBL1987209

SCHEMBL1987209

O=C(Nc1ccc(-c2cn[nH]c2)cc1)C1COc2ccccc2O1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 7/20 1.00
ROCK1 Q13464 2/20 1.00
RPS6KB1 P23443 1/20 0.71
AKT1 P31749 4/20 0.70
NPC1 O15118 5/20 0.62
RAB9A P51151 5/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
POLB P06746 1/20 0.61
CYP1A2 P05177 1/20 0.60
CYP2C9 P11712 1/20 0.60
HPGD P15428 1/20 0.60
CYP2C19 P33261 1/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
MAPT P10636 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
USP2 O75604 1/20 0.56
LMNA P02545 1/20 0.56
TP53 P04637 1/20 0.56
MAPK1 P28482 1/20 0.56

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
SCHEMBL29431932 1.00 ROCK2 (1.00) ROCK2ROCK1RPS6KB1AKT1NPC1
SCHEMBL1990726 1.00 ROCK2 (1.00) ROCK2ROCK1RPS6KB1AKT1NPC1
SCHEMBL1987717 0.90 ROCK2 (0.82) ROCK2ROCK1RPS6KB1AKT1NPC1
SCHEMBL1988716 0.86 ROCK2 (0.76) ROCK2ROCK1RPS6KB1AKT1NPC1
SCHEMBL1987182 0.85 ROCK2 (0.74) ROCK2ROCK1RPS6KB1AKT1NPC1
SCHEMBL1990954 0.85 ROCK2 (0.73) ROCK2ROCK1RPS6KB1AKT1NPC1
SCHEMBL1990960 0.85 ROCK2 (0.73) ROCK2ROCK1RPS6KB1AKT1NPC1
SCHEMBL1988377 0.85 ROCK2 (0.73) ROCK2ROCK1RPS6KB1AKT1NPC1
SCHEMBL1988376 0.85 ROCK2 (0.73) ROCK2ROCK1RPS6KB1AKT1NPC1
SCHEMBL12561553 0.85 ROCK2 (0.73) ROCK2ROCK1RPS6KB1AKT1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190328721-A1 METHOD OF ACTIVATING DENDRITIC CELLS KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2019-10-31 US claimed
US-20130123345-A1 METHOD OF TREATING A VIRAL INFECTION DYSFUNCTION BY DISRUPTING AN ADENOSINE RECEPTOR PATHWAY THE OHIO STATE UNIVERSITY (US) 2013-05-16 US claimed
US-20240342175-A1 Compositions and Methods for Treating Spinal Cord Injury and Synaptic Dysfunction MITZ HOWARD (US) 2024-10-17 US disclosed
EP-4319877-A1 COMPOSITIONS AND METHODS FOR TREATING SPINAL CORD INJURY AND SYNAPTIC DYSFUNCTION Mitz, Howard (US) 2024-02-14 EP disclosed
US-11759530-B2 TKI permeability enhancers CITY OF HOPE (US) 2023-09-19 US disclosed
US-11759530-B2 TKI permeability enhancers CITY OF HOPE (US) 2023-09-19 US disclosed
US-20220323440-A1 COMPOSITIONS AND METHODS FOR TREATING SPINAL CORD INJURY AND SYNAPTIC DYSFUNCTION MITZ HOWARD (US) 2022-10-13 US disclosed
WO-2022216537-A1 COMPOSITIONS AND METHODS FOR TREATING SPINAL CORD INJURY AND SYNAPTIC DYSFUNCTION MITZ HOWARD (US) 2022-10-13 WO disclosed
US-20190328721-A1 METHOD OF ACTIVATING DENDRITIC CELLS KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2019-10-31 US disclosed
US-20190083650-A1 TKI PERMEABILITY ENHANCERS CITY OF HOPE 2019-03-21 US disclosed
US-20180110837-A1 METHODS AND ASSAYS RELATING TO MACROPHAGE DIFFERENTIATION THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2018-04-26 US disclosed
US-20150297679-A1 METHODS AND ASSAYS RELATING TO MACROPHAGE DIFFERENTIATION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-10-22 US disclosed
WO-2014093773-A1 METHODS AND ASSAYS RELATING TO MACROPHAGE DIFFERENTIATION THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2014-06-19 WO disclosed
WO-2014022427-A1 INHIBITION OF RHO AND OR ROCK AND CELL TRANSPLANTATION BIOAXONE BIOSCIENCES INC. (US) 2014-02-06 WO disclosed
US-20130123345-A1 METHOD OF TREATING A VIRAL INFECTION DYSFUNCTION BY DISRUPTING AN ADENOSINE RECEPTOR PATHWAY THE OHIO STATE UNIVERSITY (US) 2013-05-16 US disclosed
WO-2012012736-A2 METHOD OF TREATING A VIRAL INFECTION DYSFUNCTION BY DISRUPTING AN ADENOSINE RECEPTOR PATHWAY THE OHIO STATE UNIVERSITY (US) 2012-01-26 WO disclosed
US-20110150833-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-06-23 US disclosed
US-20110150833-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-06-23 US disclosed
US-20110150833-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-06-23 US disclosed
WO-2009079008-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS FENG YANGBO (US) 2009-06-25 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 (5 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-20150297679-A1 METHODS AND ASSAYS RELATING TO MACROPHAGE DIFFERENTIATION MYADM, CD14, CD68 ROCK2 2937/4885ROCK1 3491/4885RPS6KB1 2512/4885
US-11759530-B2 TKI permeability enhancers ABL1, TK1, EGFR ROCK2 275/4885ROCK1 194/4885RPS6KB1 1889/4885
US-20190083650-A1 TKI PERMEABILITY ENHANCERS ABL1, TK1, EGFR ROCK2 275/4885ROCK1 194/4885RPS6KB1 1889/4885
US-20180110837-A1 METHODS AND ASSAYS RELATING TO MACROPHAGE DIFFERENTIATION MYADM, CD14, CD68 ROCK2 2937/4885ROCK1 3491/4885RPS6KB1 2512/4885
US-20110150833-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS ROCK1, RHOA, RHOT2 ROCK2 4/4885ROCK1 1/4885RPS6KB1 42/4885

“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.