SCHEMBL4823724

SCHEMBL4823724

Nc1ncnc2[nH]c(Br)c(-c3cccc(OCc4ccccc4)c3)c12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 3/20 0.59
PIK3CD O00329 2/20 0.59
PIK3CA P42336 2/20 0.59
PIK3CB P42338 2/20 0.59
PRKDC P78527 2/20 0.59
IGF1R P08069 14/20 0.51
PRMT5 O14744 1/20 0.49
INSR P06213 7/20 0.49
LYN P07948 6/20 0.49
ROCK2 O75116 5/20 0.49
LCK P06239 5/20 0.49
FGFR1 P11362 5/20 0.49
FLT4 P35916 5/20 0.49
KDR P35968 5/20 0.49
FLT3 P36888 5/20 0.49
CHEK2 O96017 4/20 0.49
CSF1R P07333 4/20 0.49
MARK3 P27448 4/20 0.49
CSNK1D P48730 4/20 0.49
BLK P51451 4/20 0.49

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
SCHEMBL4820290 0.86 PIK3CG (0.58) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL6861142 0.77 NUDT14 (0.53) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL4352664 0.77 PIK3CG (0.61) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL21048477 0.77 PIK3CD (0.67) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL1983642 0.72 IGF1R (0.60) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL1983640 0.72 IGF1R (0.60) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL5936309 0.71 IGF1R (0.66) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL5936182 0.71 IGF1R (0.66) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL5936185 0.71 IGF1R (0.66) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL14050381 0.70 IGF1R (0.72) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7326699-B2 4-Amino-5-phenyl-7-cyclobutyl-pyrrolo(2,3-d)pyrimidine derivatives NOVARTIS AG (CH) 2008-02-05 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
US-20040180911-A1 4-Amino-5-phenyl-7-cyclobutyl-pyrrolo(2,3-d)pyrimidine derivatives NOVARTIS AG (CH) 2004-09-16 US disclosed
EP-1390369-A1 4-AMINO-5-PHENYL-7-CYCLOBUTYL-PYRROLO(2,3-D)PYRIMIDINE DERIVATIVES Novartis AG (CH) 2004-02-25 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-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.