SCHEMBL1823005

SCHEMBL1823005

O=C(O)c1c(O)nc(-n2cccn2)nc1-c1cccc(O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.43
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PIK3CA P42336 5/20 0.39
CHEK1 O14757 1/20 0.38
SYK P43405 1/20 0.37
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
KDM4A O75164 1/20 0.37
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
HPGDS O60760 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36

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
SCHEMBL1822965 0.76 TNIK (0.45) PIK3CA
SCHEMBL17997760 0.71 MAPK1 (0.38) MAPTMAPK1HTTNPSR1L3MBTL1
SCHEMBL14575672 0.68 MAPT (0.43) PDE4BMAPTMAPK1HTTNPSR1
SCHEMBL1823004 0.67 CHEK1 (0.43) MAPK1CHEK1CSNK2A2CSNK2BHPGDS
SCHEMBL14575419 0.65 MAPT (0.38) MAPTMAPK1HTTNPSR1L3MBTL1
SCHEMBL1819465 0.65 LMNA (0.49) MAPTMAPK1HTTNPSR1L3MBTL1
SCHEMBL8245935 0.64 MAPK1 (0.46) MAPTMAPK1HTTNPSR1L3MBTL1
SCHEMBL9049314 0.64 LMNA (0.51) MAPTMAPK1HTTL3MBTL1KDM4A
SCHEMBL18289088 0.64 ERCC1 (0.51) MAPTMAPK1LMNAERCC1ERCC4
SCHEMBL29368413 0.64 ERCC1 (0.51) MAPTMAPK1LMNAERCC1ERCC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2316831-B1 2-(morpholin-4-yl)pyrimidines as phosphotidylinositol (PI) 3-kinase inhibitors and their use in the treatment of cancer NOVARTIS AG (CH) 2013-03-06 EP disclosed
EP-1575940-B1 2,4,6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER NOVARTIS AG (CH) 2011-10-05 EP disclosed
EP-2316831-A1 2,4,6-trisubstituted pyrimidines as phosphotidylinositol (PI) 3-kinase inhibitors and their use in the treatment of cancer Novartis AG (CH) 2011-05-04 EP disclosed
US-7767669-B2 Small molecule PI 3-kinase inhibitors and methods of their use NOVARTIS AG (CH) 2010-08-03 US disclosed
US-20090060912-A1 SMALL MOLECULE PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE CHIRON CORPORATION (US) 2009-03-05 US disclosed
US-7423148-B2 Small molecule PI 3-kinase inhibitors and methods of their use CHIRON CORPORATION (US) 2008-09-09 US disclosed
EP-1575940-A1 2,4,6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER CHIRON CORPORATION (US) 2005-09-21 EP disclosed
US-20040176385-A1 Small molecule PI 3-kinase inhibitors and methods of their use NOVARTIS AG (CH) 2004-09-09 US disclosed
WO-2004048365-A1 2,4,6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER CHIRON CORPORATION (US) 2004-06-10 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 (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-20040176385-A1 Small molecule PI 3-kinase inhibitors and methods of their use PI4KB, PI4KA, PDPK1 PDE4B 482/4885MAPT 1941/4885MAPK1 234/4885
US-20090060912-A1 SMALL MOLECULE PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE PI4KB, AKT3, PI4KA PDE4B 510/4885MAPT 1913/4885MAPK1 311/4885

“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.