SCHEMBL4352664

SCHEMBL4352664

Nc1ncnc2[nH]cc(-c3cccc(OCc4ccccc4)c3)c12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 2/20 0.61
PIK3CD O00329 1/20 0.61
PIK3CA P42336 1/20 0.61
PIK3CB P42338 1/20 0.61
PRKDC P78527 1/20 0.61
IGF1R P08069 12/20 0.57
JAK2 O60674 1/20 0.55
JAK3 P52333 1/20 0.55
INSR P06213 5/20 0.52
LYN P07948 4/20 0.52
ROCK2 O75116 3/20 0.52
LCK P06239 3/20 0.52
FGFR1 P11362 3/20 0.52
FLT4 P35916 3/20 0.52
KDR P35968 3/20 0.52
FLT3 P36888 3/20 0.52
SRC P12931 3/20 0.52
STK3 Q13188 3/20 0.52
AURKA O14965 2/20 0.52
CHEK2 O96017 2/20 0.52

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
SCHEMBL15032652 0.88 JAK3 (0.63) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL6871843 0.87 PRMT5 (0.57) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL12438016 0.84 IGF1R (0.51) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL14115599 0.83 PIK3CG (0.52) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL7013879 0.82 LRRK2 (0.65) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL17731204 0.81 PIK3CD (0.57) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL7021288 0.79 LRRK2 (0.63) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL21048477 0.79 PIK3CD (0.67) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL6634899 0.78 BTK (0.47) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL12438584 0.77 LRRK2 (0.55) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009070328-A1 MODULATORS OF THE EPIDERMAL GROWTH FACTOR RECEPTOR (EGFR) PATHWAY FOR USE IN THE TREATMENT OR PREVENTION OF SUBSTANCE ABUSE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-06-04 WO disclosed
US-7326699-B2 4-Amino-5-phenyl-7-cyclobutyl-pyrrolo(2,3-d)pyrimidine derivatives NOVARTIS AG (CH) 2008-02-05 US disclosed
US-20060058324-A1 4-Amino-5-phenyl-7-cyclohexyl-pyrrolo 2,3-d pyrimidine derivatives CAPRARO HANS-GEORG 2006-03-16 US disclosed
EP-1390369-B1 4-AMINO-5-PHENYL-7-CYCLOBUTYL-PYRROLO(2,3-D)PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2005-11-09 EP disclosed
EP-1562947-A1 4-AMINO-5-PHENYL-7-CYCLOHEXYL-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES Novartis AG (CH) 2005-08-17 EP disclosed
US-20040180911-A1 4-Amino-5-phenyl-7-cyclobutyl-pyrrolo(2,3-d)pyrimidine derivatives NOVARTIS AG (CH) 2004-09-16 US disclosed
WO-2004043962-A1 4-AMINO-5-PHENYL-7-CYCLOHEXYL-PYRROLO[2,3-d]PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2004-05-27 WO disclosed
EP-1390369-A1 4-AMINO-5-PHENYL-7-CYCLOBUTYL-PYRROLO(2,3-D)PYRIMIDINE DERIVATIVES Novartis AG (CH) 2004-02-25 EP disclosed
EP-0888353-B1 N-7-HETEROCYCLYL PYRROLO [2,3-d]PYRIMIDINES AND THEIR USE NOVARTIS AG (CH) 2003-07-09 EP disclosed
WO-2002092599-A1 4-AMINO-5-PHENYL-7-CYCLOBUTYL-PYRROLO (2,3-D) PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2002-11-21 WO disclosed
US-6051577-A TYROSINE INHIBITORS; BONE DISORDERS NOVARTIS AG (CH) 2000-04-18 US disclosed
EP-0888353-A1 NOVEL N-7-HETEROCYCLYL PYRROLO 2,3-D]PYRIDINES AND THEIR USE Novartis AG (CH) 1999-01-07 EP disclosed
WO-1997034895-A1 NOVEL N-7-HETEROCYCLYL PYRROLO[2,3-D]PYRIDINES AND THEIR USE NOVARTIS AG (CH) 1997-09-25 WO disclosed
WO-1997032879-A1 7-ALKYL-PYRROLO[2,3-d]PYRIMIDINES NOVARTIS AG (CH) 1997-09-12 WO disclosed
WO-1997028161-A1 NOVEL PYRROLO[2,3-D]PYRIMIDINES AND THEIR USE AS TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 1997-08-07 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-20060058324-A1 4-Amino-5-phenyl-7-cyclohexyl-pyrrolo 2,3-d pyrimidine derivatives TYMP, TYMS, APRT PIK3CG 414/4885PIK3CD 271/4885PIK3CA 88/4885
US-20040180911-A1 4-Amino-5-phenyl-7-cyclobutyl-pyrrolo(2,3-d)pyrimidine derivatives TYMP, DPYD, TYMS PIK3CG 623/4885PIK3CD 427/4885PIK3CA 180/4885

“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.