SCHEMBL2128391

SCHEMBL2128391

Nc1nc2c(nc(Br)n2Cc2ccccc2)c(=O)[nH]1

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PNP P00491 7/20 0.76
ADORA2A P29274 1/20 0.55
ADORA1 P30542 1/20 0.55
TYMS P04818 1/20 0.51
HPRT1 P00492 4/20 0.49
DHFR P00374 2/20 0.49
XDH P47989 1/20 0.47
PDE7A Q13946 1/20 0.47
PDE7B Q9NP56 1/20 0.47
TLR7 Q9NYK1 1/20 0.44

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
SCHEMBL10506664 0.88 PNP (0.60) PNPADORA2AADORA1TYMSHPRT1
SCHEMBL10506827 0.88 PNP (0.60) PNPADORA2AADORA1TYMSHPRT1
SCHEMBL10506260 0.87 PNP (0.58) PNPADORA2AADORA1TYMSHPRT1
SCHEMBL27851218 0.87 PNP (0.62) PNPADORA2AADORA1HPRT1DHFR
SCHEMBL10506494 0.87 PNP (0.58) PNPTYMSHPRT1DHFRXDH
SCHEMBL9798201 0.87 PNP (0.58) PNPADORA2AADORA1HPRT1PDE7A
SCHEMBL6359274 0.86 PNP (1.00) PNPTYMSDHFRXDHTLR7
SCHEMBL7663884 0.84 PNP (0.76) PNPTYMSDHFRXDHTLR7
SCHEMBL10508294 0.84 TYMS (0.56) PNPTYMSHPRT1XDHTLR7
SCHEMBL10506462 0.84 PNP (0.58) PNPTYMSHPRT1XDHPDE7A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012145794-A1 METHOD OF DETERMINING RESPONSE TO TREATMENT WITH IMMUNOMODULATORY COMPOSITION THE UNIVERSITY OF SYDNEY (AU) 2012-11-01 WO claimed
EP-2443257-A1 METHOD OF DETERMINING RESPONSE TO TREATMENT WITH IMMUNOMODULATORY COMPOSITION The University Of Sydney (AU) 2012-04-25 EP claimed
WO-2011146985-A1 METHOD OF DETERMINING RESPONSE TO TREATMENT WITH IMMUNOMODULATORY COMPOSITION THE UNIVERSITY OF SYDNEY (AU) 2011-12-01 WO claimed
WO-2010144946-A1 METHOD OF DETERMINING RESPONSE TO TREATMENT WITH IMMUNOMODULATORY COMPOSITION THE UNIVERSITY OF SYDNEY (AU) 2010-12-23 WO claimed
US-20100316608-A1 Method of Determining A Response To Treatment With Immunomodulatory Composition WESTERN SYDNEY LOCAL HEALTH DISTRICT (AU) 2010-12-16 US claimed
US-11986480-B2 Heterocyclic compound TOHOKU UNIVERSITY (JP) 2024-05-21 US disclosed
EP-4319773-A1 MODIFICATION OF EPOR-ENCODING NUCLEIC ACIDS Ensoma, Inc. (US) 2024-02-14 EP disclosed
WO-2023150393-A2 INHIBITOR-RESISTANT MGMT MODIFICATIONS AND MODIFICATION OF MGMT-ENCODING NUCLEIC ACIDS ENSOMA, INC. (US) 2023-08-10 WO disclosed
US-20200163970-A1 HETEROCYCLIC COMPOUND TOHOKU UNIVERSITY (JP) 2020-05-28 US disclosed
WO-2012145794-A1 METHOD OF DETERMINING RESPONSE TO TREATMENT WITH IMMUNOMODULATORY COMPOSITION THE UNIVERSITY OF SYDNEY (AU) 2012-11-01 WO disclosed
US-20120183497-A1 Method of Determining Response to Treatment with Immunomodulatory Composition GEORGE JACOB (AU) 2012-07-19 US disclosed
EP-2443257-A1 METHOD OF DETERMINING RESPONSE TO TREATMENT WITH IMMUNOMODULATORY COMPOSITION The University Of Sydney (AU) 2012-04-25 EP disclosed
EP-0775142-B1 SUBSTITUTED O6 -BENZYLGUANINES US HEALTH (US) 2001-10-24 EP disclosed
EP-1142893-A1 Substituted O6-benzylguanines and 6(4)-benzyloxypyrimidines THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, Department of Health and Human Services (US) 2001-10-10 EP disclosed
EP-0775142-A1 SUBSTITUTED O6 -BENZYLGUANINES AND 6(4)-BENZYLOXYPYRIMIDINES THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, Department of Health and Human Services (US) 1997-05-28 EP disclosed
WO-1996004281-A1 SUBSTITUTED O6-BENZYLGUANINES AND 6(4)-BENZYLOXYPYRIMIDINES THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1996-02-15 WO disclosed
US-4874862-A Process for preparing guanine derivatives WARNER-LAMBERT COMPANY (US) 1989-10-17 US disclosed
EP-0156559-B1 8-SUBSTITUTED GUANINE DERIVATIVES WARNER-LAMBERT COMPANY (US) 1989-08-02 EP disclosed
US-4748177-A Guanine derivatives WARNER-LAMBERT COMPANY (US) 1988-05-31 US disclosed
EP-0156559-A2 8-Substituted guanine derivatives WARNER-LAMBERT COMPANY (US) 1985-10-02 EP 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 (2 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-20200163970-A1 HETEROCYCLIC COMPOUND SQSTM1, BECN1, ATG7 PNP 4447/4885ADORA2A 4202/4885ADORA1 4489/4885
US-11986480-B2 Heterocyclic compound SQSTM1, BECN1, ATG7 PNP 4447/4885ADORA2A 4202/4885ADORA1 4489/4885

“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.