SCHEMBL4439490

SCHEMBL4439490

c1csc(-c2nc(N3CCOCC3)c3nc[nH]c3n2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.69
MTOR P42345 7/20 0.69
PIK3CG P48736 7/20 0.69
TDP1 Q9NUW8 1/20 0.58
STK4 Q13043 1/20 0.53
STK3 Q13188 1/20 0.53
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.45
HPGD P15428 3/20 0.45
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.45
GBA1 P04062 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.42
FLT3 P36888 2/20 0.42
GAA P10253 2/20 0.41
GAK O14976 1/20 0.41

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
SCHEMBL4449352 0.81 KDM4E (0.54) PIK3CAMTORPIK3CGSTK4STK3
SCHEMBL4438208 0.79 PIK3CA (0.69) PIK3CAMTORPIK3CGGAK
SCHEMBL4448127 0.77 PIK3CA (0.44) PIK3CAMTORPIK3CGTDP1ALDH1A1
SCHEMBL4449669 0.77 PIK3CA (0.69) PIK3CAMTORPIK3CGSTK4STK3
SCHEMBL31061338 0.77 PIK3CA (0.69) PIK3CAMTORPIK3CGSTK4STK3
SCHEMBL4449716 0.76 PIK3CA (0.67) PIK3CAMTORPIK3CG
SCHEMBL31061290 0.76 PIK3CA (0.67) PIK3CAMTORPIK3CG
SCHEMBL4442229 0.76 PIK3CA (0.53) PIK3CAMTORPIK3CGALDH1A1KDM4E
SCHEMBL4998903 0.76 PIK3CA (0.67) PIK3CAMTORPIK3CGALDH1A1KDM4E
SCHEMBL20603261 0.75 PIK3CA (0.41) PIK3CAMTORPIK3CGALOX15

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 PIK3CA 4/4885MTOR 1/4885PIK3CG 16/4885

“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.