SCHEMBL638908

SCHEMBL638908

Nc1ncnc2c1c(I)nn2C1O[C@H](CO)[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 11/20 1.00
DOT1L Q8TEK3 3/20 1.00
CDK5 Q00535 2/20 1.00
CDK1 P06493 2/20 1.00
CDK2 P24941 2/20 1.00
DCLK1 O15075 1/20 1.00
DAPK3 O43293 1/20 1.00
DYRK3 O43781 1/20 1.00
ROS1 P08922 1/20 1.00
RPS6KB1 P23443 1/20 1.00
FLT3 P36888 1/20 1.00
CSNK1A1 P48729 1/20 1.00
CSNK1D P48730 1/20 1.00
CLK2 P49760 1/20 1.00
IRAK1 P51617 1/20 1.00
DYRK1A Q13627 1/20 1.00
MELK Q14680 1/20 1.00
NTRK3 Q16288 1/20 1.00
HIPK4 Q8NE63 1/20 1.00
SLK Q9H2G2 1/20 1.00

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
SCHEMBL20142126 1.00 ADK (1.00) ADKDOT1LCDK5CDK1CDK2
SCHEMBL638910 1.00 ADK (1.00) ADKDOT1LCDK5CDK1CDK2
SCHEMBL8975805 1.00 ADK (1.00) ADKDOT1LCDK5CDK1CDK2
SCHEMBL8975325 0.91 ADK (1.00) ADKDOT1LCDK5CDK1CDK2
SCHEMBL20142562 0.90 ADK (0.81) ADKDOT1LCDK5CDK1CDK2
SCHEMBL20141963 0.87 ADK (0.77) ADKDOT1LCDK5CDK1CDK2
SCHEMBL20141562 0.87 ADK (0.77) ADKDOT1LCDK5CDK1CDK2
SCHEMBL8975866 0.86 ADK (1.00) ADKDOT1LCDK5CDK1CDK2
SCHEMBL8975573 0.86 ADK (0.75) ADKDOT1LCDK5CDK1CDK2
SCHEMBL20141857 0.84 ATG7 (0.73) ADKDOT1LCDK5CDK1CDK2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017205848-A1 METHANOCARBA DERIVATIVES OF PSEUDORIBOSE THAT INHIBIT ADENOSINE KINASE LEGACY EMANUEL HOSPITAL & HEALTH CENTER (US) 2017-11-30 WO disclosed
EP-1575973-B1 SUBSTITUTION DERIVATIVES OF N SP 6 SP -BENZYLADENOSINE, METHODS OF THEIR PREPARATION, THEIR USE FOR PREPARATION OF DRUGS, COSMETIC PREPARATIONS AND GROWTH REGULATORS, PHARMACEUTICAL PREPARATIONS, COSMETIC PREPARATIONS AND GROWTH REGULATORS CONTAINING THESE COMPOUNDS USTAV EXPERIMENTALNI BOTANIKY AV CR V V I (CZ) 2017-08-23 EP disclosed
US-8119614-B2 Substitution derivatives of N6-benzyladenosine, methods of their preparation, their use for preparation of drugs, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds USTAV EXPERIMENTALNI BOTANIKY AKADEMIE VED CESKE REPUBLIKY (CZ) 2012-02-21 US disclosed
US-20060166925-A1 Substitution derivatives of n6-benzyladenosine, methods of their preparation, their use for preparation of drugs, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds USTAV EXPERIMENTALNI BOTANIKY AKADEMIE VED CESKE REPUBLIKY (CZ) 2006-07-27 US 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-20060166925-A1 Substitution derivatives of n6-benzyladenosine, methods of their preparation, their use for preparation of drugs, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds ADAR, ADORA2A, AMPD2 ADK 27/4885DOT1L 634/4885CDK5 342/4885

“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.