SCHEMBL4438221

SCHEMBL4438221

CS(=O)(=O)Nc1cccc(-c2nc(N3CCOCC3)c3nc[nH]c3n2)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.75
PIK3CG P48736 4/20 0.75
CYP1A2 P05177 6/20 0.66
CYP3A4 P08684 5/20 0.66
LMNA P02545 2/20 0.66
TSHR P16473 1/20 0.66
RECQL P46063 1/20 0.66
MAPK1 P28482 2/20 0.55
USP2 O75604 1/20 0.55
HIF1A Q16665 1/20 0.55
CLK4 Q9HAZ1 1/20 0.55
MTOR P42345 7/20 0.54
CYP2D6 P10635 2/20 0.53
PIK3R1 P27986 2/20 0.50
PIK3C2B O00750 2/20 0.48
PTK2 Q05397 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL4437743 0.86 PIK3CA (0.72) PIK3CAPIK3CGCYP1A2CYP3A4LMNA
SCHEMBL4919616 0.85 PIK3CA (0.57) PIK3CAPIK3CGCYP1A2CYP3A4LMNA
SCHEMBL4440268 0.83 PIK3CA (0.62) PIK3CAPIK3CGLMNAMTORMEN1
SCHEMBL4442229 0.81 PIK3CA (0.53) PIK3CAPIK3CGCYP1A2CYP3A4LMNA
SCHEMBL4443377 0.81 PIK3CA (0.70) PIK3CAPIK3CGCLK4MTORPIK3R1
SCHEMBL4443717 0.80 PIK3CA (0.58) PIK3CAPIK3CGCYP1A2CYP3A4LMNA
SCHEMBL4442920 0.80 PIK3CA (0.50) PIK3CAPIK3CGMTOR
SCHEMBL4449352 0.80 KDM4E (0.54) PIK3CAPIK3CGLMNATSHRMAPK1
SCHEMBL4443720 0.80 PIK3CA (0.70) PIK3CAPIK3CGMTORPIK3R1
SCHEMBL2152956 0.79 MTOR (0.70) PIK3CAPIK3CGCYP1A2CYP3A4LMNA

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 3 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

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 4/4885PIK3CG 16/4885CYP1A2 3267/4885

“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.