SCHEMBL355361

SCHEMBL355361

Nc1nc(Br)c2nc[nH]c2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.37
GDA Q9Y2T3 1/20 0.37
PRKACA P17612 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CSNK2A2 P19784 1/20 0.36
RAB9A P51151 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
DYRK1A Q13627 1/20 0.36
CSNK2A3 Q8NEV1 1/20 0.36
CDK2 P24941 2/20 0.35
DPP4 P27487 1/20 0.35
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PRNP P04156 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
BRAF P15056 1/20 0.33

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
SCHEMBL533602 0.79 MEN1 (0.39) MEN1KMT2ACSNK2A2RAB9ACSNK2B
2,6-Diaminopurine SCHEMBL24052 0.79 GDA (0.48) PDPK1GDACDK2DPP4ALDH1A1
2,6-Diaminopurine SCHEMBL29444619 0.79 GDA (0.48) PDPK1GDACDK2DPP4ALDH1A1
2,6-Diaminopurine SCHEMBL6423146 0.78 GDA (0.47) PDPK1GDACDK2DPP4ALDH1A1
2,6-Diaminopurine SCHEMBL8757968 0.78 GDA (0.47) PDPK1GDACDK2DPP4ALDH1A1
6-Chloroguanine SCHEMBL6711 0.76 DPP4 (0.52) PDPK1GDAPRKACACSNK2A1DYRK1A
SCHEMBL1336872 0.76 PDPK1 (0.37) PDPK1GDAMEN1KMT2ACDK2
SCHEMBL2938699 0.76 PDPK1 (0.37) PDPK1GDACDK2DPP4ALDH1A1
Guanine SCHEMBL31714144 0.76 BRAF (0.38) PDPK1GDAPRKACAMEN1KMT2A
Thioguanine SCHEMBL218891 0.76 PDPK1 (0.37) PDPK1GDACDK2DPP4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2711009-A1 Compounds for use in treating or preventing primary and metastatic breast and prostate cancer Institut Univ. de Ciència i Tecnologia, S.A. (ES) 2014-03-26 EP claimed
EP-2711008-A1 N6,N6-dimethyladenosine for use in treating or preventing primary and metastatic breast cancer Institut Univ. de Ciència i Tecnologia, S.A. (ES) 2014-03-26 EP claimed
EP-2711007-A1 4-Aminopyrazolo[3,4-d]pyrimidine for use in treating or preventing primary and metastatic breast and prostate cancer Institut Univ. de Ciència i Tecnologia, S.A. (ES) 2014-03-26 EP claimed
US-5817799-A 2'-Fluorofuranosyl derivatives and methods for preparing 2'-fluoropyrimidine and 2'-fluoropurine nucleosides THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1998-10-06 US claimed
EP-0540686-B1 2'-FLUOROFURANOSYL DERIVATIVES AND NOVEL METHOD OF PREPARING 2'-FLUOROPYRIMIDINE AND 2'-FLUOROPURINE NUCLEOSIDES US COMMERCE (US) 1995-08-30 EP claimed
EP-0540686-A4 2'-FLUOROFURANOSYL DERIVATIVES AND NOVEL METHOD OF PREPARING 2'-FLUOROPYRIMIDINE AND 2'-FLUOROPURINE NUCLEOSIDES US COMMERCE (US) 1993-05-26 EP claimed
EP-0540686-A1 2'-FLUOROFURANOSYL DERIVATIVES AND NOVEL METHOD OF PREPARING 2'-FLUOROPYRIMIDINE AND 2'-FLUOROPURINE NUCLEOSIDES. US COMMERCE (US) 1993-05-12 EP claimed
WO-1992001700-A1 2'-FLUOROFURANOSYL DERIVATIVES AND NOVEL METHOD OF PREPARING 2'-FLUOROPYRIMIDINE AND 2'-FLUOROPURINE NUCLEOSIDES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, U.S. DEPARTMENT OF COMMERCE (US) 1992-02-06 WO claimed
US-11401280-B2 Pyrimidinones as PI3K inhibitors INCYTE HOLDINGS CORPORATION (US) 2022-08-02 US disclosed
EP-3943494-A1 QUINAZOLINONES AS INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION (US) 2022-01-26 EP disclosed
US-20210332047-A1 QUINAZOLINONES AS INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORP (US) 2021-10-28 US disclosed
US-20210253601-A1 PYRIMIDINONES AS PI3K INHIBITORS INCYTE HOLDINGS CORPORATION 2021-08-19 US disclosed
EP-3153514-B1 QUINAZOLINONES AS INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORP (US) 2021-04-21 EP disclosed
WO-2021029334-A1 RNA INTERFERENCE AGENT, MULTIPLE CHEMICALLY MODIFIED OLIGONUCLEOTIDE, AND USE THEREOF 国立大学法人東海国立大学機構 2021-02-18 WO disclosed
EP-0174272-B1 PROCESS FOR THE PREPARATION OF DIMETHYLMALEIC ANHYDRIDE CIBA-GEIGY AG (CH) 1988-08-31 EP disclosed
EP-0175641-B1 PROCESS FOR THE PREPARATION OF DIMETHYLMALEIC ANHYDRIDE CIBA-GEIGY AG (CH) 1988-02-24 EP disclosed
US-4644069-A HEATING MALEIC ACID OR ANHYDRIDE WITH AN AMIDINE OR ITS SALT CIBA-GEIGY CORPORATION (US) 1987-02-17 US disclosed
US-4639531-A HETEROCYCLIC AMIDINE CATALYST CIBA-GEIGY CORPORATION (US) 1987-01-27 US disclosed
EP-0175641-A1 Process for the preparation of dimethylmaleic anhydride CIBA-GEIGY AG (CH) 1986-03-26 EP disclosed
EP-0174272-A1 Process for the preparation of dimethylmaleic anhydride CIBA-GEIGY AG (CH) 1986-03-12 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 (3 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-11401280-B2 Pyrimidinones as PI3K inhibitors PIK3CA, PIK3CD, PIK3CB PDPK1 18/4885GDA 273/4885PRKACA 279/4885
US-20210253601-A1 PYRIMIDINONES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB PDPK1 18/4885GDA 273/4885PRKACA 279/4885
US-20210332047-A1 QUINAZOLINONES AS INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PI4KA PDPK1 19/4885GDA 1662/4885PRKACA 82/4885

“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.