SCHEMBL1025895

SCHEMBL1025895

COc1nc(N)nc2c1NC=[N+]2

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35

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
SCHEMBL8886045 0.82 CDK1 (0.43) CCNA2CDK2CCNA1
SCHEMBL17824203 0.82 CDK1 (0.33) CCNA2CDK2CCNA1
SCHEMBL7809926 0.82 TSHR (0.37) CCNA2CDK2CCNA1
SCHEMBL536980 0.73 DPP4 (0.34)
SCHEMBL8884479 0.73
SCHEMBL536868 0.73
SCHEMBL16828162 0.63 CCNA2 (0.50) CCNA2CDK2CCNA1
SCHEMBL4058597 0.62
SCHEMBL4860847 0.62 CHEK1 (0.36)
Hydrochloric Acid SCHEMBL16828222 0.61 CCNA2 (0.48) CCNA2CDK2CCNA1

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
US-8946243-B2 Compounds and methods for the treatment of viral infection THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-02-03 US disclosed
US-20110184003-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF VIRAL INFECTION THE UNITED STATES OF AMERICA, AS REPRESENTED BY TH (US) 2011-07-28 US disclosed
EP-2274311-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OF VIRAL INFECTION Government of the United States of America, as represented by the Secretary, Department of Health and Human Services (US) 2011-01-19 EP disclosed
WO-2009142827-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OF VIRAL INFECTION GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-11-26 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-20110184003-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF VIRAL INFECTION TPMT, TYMP, MTAP CCNA2 1437/4885CDK2 745/4885CCNA1 1615/4885

“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.