SCHEMBL355362

SCHEMBL355362

Nc1nc(Br)c2[nH]cnc2n1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.66
GDA Q9Y2T3 1/20 0.66
CDK2 P24941 10/20 0.61
DPP4 P27487 1/20 0.61
MAP3K5 Q99683 1/20 0.56
CDK1 P06493 9/20 0.53
CCNB1 P14635 9/20 0.53
CCNA2 P20248 9/20 0.53
CCNA1 P78396 9/20 0.53
MGMT P16455 4/20 0.53
PRKACA P17612 2/20 0.52
PIN1 Q13526 2/20 0.51
BRAF P15056 1/20 0.49
ADORA2A P29274 1/20 0.49
ADORA1 P30542 1/20 0.49
HRH4 Q9H3N8 1/20 0.47

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
SCHEMBL533603 0.79 PDPK1 (0.44) PDPK1GDACDK2DPP4MAP3K5
2,6-Diaminopurine SCHEMBL24053 0.79 PDPK1 (1.00) PDPK1GDACDK2DPP4MAP3K5
2,6-Diaminopurine SCHEMBL28206545 0.78 PDPK1 (0.96) PDPK1GDACDK2DPP4MAP3K5
2,6-Diaminopurine SCHEMBL27891733 0.78 PDPK1 (0.96) PDPK1GDACDK2DPP4MAP3K5
2,6-Diaminopurine SCHEMBL8757979 0.78 PDPK1 (0.96) PDPK1GDACDK2DPP4MAP3K5
SCHEMBL27870406 0.77 PDPK1 (0.61) PDPK1GDACDK2DPP4MAP3K5
SCHEMBL24500763 0.76 XDH (0.56) PDPK1GDACDK2DPP4
6-Chloroguanine SCHEMBL64059 0.76 DPP4 (1.00) PDPK1GDACDK2DPP4MAP3K5
Thioguanine SCHEMBL183648 0.76 PDPK1 (0.66) PDPK1GDACDK2DPP4MAP3K5
SCHEMBL2867588 0.76 PDPK1 (0.66) PDPK1GDACDK2DPP4MAP3K5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104768964-B Artificial nucleosides and oligonucleotides having guanidine bridges 国立大学法人大阪大学 2017-03-29 CN claimed
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-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
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
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
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 273/4885CDK2 123/4885
US-20210253601-A1 PYRIMIDINONES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB PDPK1 18/4885GDA 273/4885CDK2 123/4885
US-20210332047-A1 QUINAZOLINONES AS INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PI4KA PDPK1 19/4885GDA 1662/4885CDK2 147/4885

“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.