SCHEMBL2053010

SCHEMBL2053010

NC[C@H]1O[C@@H](n2nc(Br)c3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADK P55263 15/20 1.00
DOT1L Q8TEK3 1/20 0.61
DCLK1 O15075 1/20 0.61
DAPK3 O43293 1/20 0.61
DYRK3 O43781 1/20 0.61
CDK1 P06493 1/20 0.61
ROS1 P08922 1/20 0.61
RPS6KB1 P23443 1/20 0.61
CDK2 P24941 1/20 0.61
FLT3 P36888 1/20 0.61
CSNK1A1 P48729 1/20 0.61
CSNK1D P48730 1/20 0.61
CLK2 P49760 1/20 0.61
IRAK1 P51617 1/20 0.61
CDK5 Q00535 1/20 0.61
DYRK1A Q13627 1/20 0.61
MELK Q14680 1/20 0.61
NTRK3 Q16288 1/20 0.61
HIPK4 Q8NE63 1/20 0.61
SLK Q9H2G2 1/20 0.61

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
SCHEMBL8975585 1.00 ADK (1.00) ADKDOT1LDCLK1DAPK3DYRK3
SCHEMBL8975866 0.91 ADK (1.00) ADKDOT1LDCLK1DAPK3DYRK3
SCHEMBL8975325 0.86 ADK (1.00) ADKDOT1LDCLK1DAPK3DYRK3
SCHEMBL8321848 0.86 ADK (0.75) ADKDOT1LDCLK1DAPK3DYRK3
SCHEMBL8328051 0.86 ADK (0.75) ADKDOT1LDCLK1DAPK3DYRK3
SCHEMBL8322892 0.84 ATG7 (0.73) ADKDOT1LDCLK1DAPK3DYRK3
SCHEMBL8975523 0.83 ADK (0.74) ADKDOT1LDCLK1DAPK3DYRK3
SCHEMBL8324823 0.83 ADK (0.71) ADKDOT1LDCLK1DAPK3DYRK3
SCHEMBL8895593 0.83 ATG7 (0.73) ADKDOT1LDCLK1DAPK3DYRK3
SCHEMBL8742142 0.79 ADK (0.66) ADKDOT1LDCLK1DAPK3DYRK3

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-20130023491-A1 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-01-24 US claimed
EP-2513298-A2 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE President and Fellows of Harvard College (US) 2012-10-24 EP claimed
WO-2011075665-A2 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-06-23 WO claimed
EP-0682519-A4 ADENOSINE KINASE INHIBITORS. GENSIA INC (US) 1997-12-17 EP claimed
EP-0682519-A1 ADENOSINE KINASE INHIBITORS GENSIA, INC. (US) 1995-11-22 EP claimed
WO-1994017803-A9 ADENOSINE KINASE INHIBITORS 1994-09-29 WO claimed
WO-1994017803-A1 ADENOSINE KINASE INHIBITORS GENSIA, INC. (US) 1994-08-18 WO claimed
EP-4662319-A2 PERSONALIZED CRISPR PROFILING FOR CANCER Integrate Bioscience LLC (US) 2025-12-17 EP disclosed
WO-2024168301-A2 PERSONALIZED CRISPR PROFILING FOR CANCER FUNCTION ONCOLOGY, INC. (US) 2024-08-15 WO disclosed
US-20130023491-A1 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-01-24 US disclosed
EP-2513298-A2 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE President and Fellows of Harvard College (US) 2012-10-24 EP disclosed
WO-2011075665-A2 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-06-23 WO disclosed
EP-0832092-A1 ORALLY ACTIVE ADENOSINE KINASE INHIBITORS GENSIA, INC. (US) 1998-04-01 EP disclosed
WO-1996040706-A1 ORALLY ACTIVE ADENOSINE KINASE INHIBITORS GENSIA-SICOR (US) 1996-12-19 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 (1 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-20130023491-A1 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE ADK, AHCY, IAPP ADK 1/4885DOT1L 502/4885DCLK1 639/4885

“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.