SCHEMBL4448951

SCHEMBL4448951

O=[N+]([O-])c1cccc(-c2nc(N3CCOCC3)c3nc[nH]c3n2)c1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
ALDH1A1 P00352 1/20 0.63
MAPK1 P28482 1/20 0.63
SRC P12931 1/20 0.49
PIK3CA P42336 12/20 0.48
MTOR P42345 8/20 0.48
PIK3CG P48736 7/20 0.48
PIK3CD O00329 3/20 0.45
ABCG2 Q9UNQ0 1/20 0.44
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL4442229 0.83 PIK3CA (0.53) MEN1KMT2AALDH1A1MAPK1PIK3CA
SCHEMBL4443377 0.82 PIK3CA (0.70) PIK3CAMTORPIK3CGPIK3CD
SCHEMBL4440268 0.82 PIK3CA (0.62) MEN1KMT2ASRCPIK3CAMTOR
SCHEMBL4449352 0.81 KDM4E (0.54) MAPK1PIK3CAMTORPIK3CGPIK3CD
SCHEMBL4437743 0.80 PIK3CA (0.72) PIK3CAMTORPIK3CGPIK3CDLMNA
SCHEMBL4442257 0.80 PIK3CA (0.71) PIK3CAMTORPIK3CGPIK3CDLMNA
SCHEMBL4442920 0.80 PIK3CA (0.50) PIK3CAMTORPIK3CGPIK3CD
SCHEMBL4443717 0.80 PIK3CA (0.58) MEN1KMT2AALDH1A1MAPK1SRC
SCHEMBL4449028 0.80 GAA (0.59) PIK3CAMTORPIK3CGPIK3CD
SCHEMBL4438221 0.78 PIK3CA (0.75) MEN1KMT2AMAPK1PIK3CAMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125815-A2 IMIDAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS PI3 KINASE AND MTOR INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2009-12-02 EP claimed
WO-2008116129-A2 IMIDAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS PI3 KINASE AND MTOR INHIBITORS WYETH (US) 2008-09-25 WO claimed
US-20080233127-A1 IMIDAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS PI3 KINASE AND MTOR INHIBITORS WYETH (US) 2008-09-25 US claimed
US-20080233127-A1 IMIDAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS PI3 KINASE AND MTOR INHIBITORS WYETH (US) 2008-09-25 US 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-20080233127-A1 IMIDAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, MTMR1 MEN1 2870/4885KMT2A 2923/4885ALDH1A1 3278/4885

“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.