SCHEMBL4449352

SCHEMBL4449352

c1ccc(-c2nc(N3CCOCC3)c3nc[nH]c3n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
GAA P10253 1/20 0.52
HTT P42858 2/20 0.51
TRPM8 Q7Z2W7 1/20 0.51
PIK3CA P42336 11/20 0.51
MTOR P42345 5/20 0.51
PIK3CG P48736 5/20 0.51
LMNA P02545 1/20 0.49
STK4 Q13043 1/20 0.49
STK3 Q13188 1/20 0.49
LRRK2 Q5S007 1/20 0.49
GLA P06280 1/20 0.49
PIK3R1 P27986 1/20 0.48
PIK3CD O00329 2/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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 0.92 PIK3CA (0.53) KDM4EHTTPIK3CAMTORPIK3CG
SCHEMBL4449716 0.88 PIK3CA (0.67) PIK3CAMTORPIK3CGPIK3R1PIK3CD
SCHEMBL31061290 0.88 PIK3CA (0.67) PIK3CAMTORPIK3CGPIK3R1PIK3CD
SCHEMBL4998903 0.87 PIK3CA (0.67) KDM4EHTTPIK3CAMTORPIK3CG
SCHEMBL4443377 0.86 PIK3CA (0.70) PIK3CAMTORPIK3CGPIK3R1PIK3CD
SCHEMBL4440268 0.86 PIK3CA (0.62) PIK3CAMTORPIK3CGLMNASTK4
SCHEMBL4442909 0.84 PIK3CA (0.69) PIK3CAMTORPIK3CGPIK3R1PIK3CD
SCHEMBL4443667 0.84 PIK3CA (0.68) PIK3CAMTORPIK3CGLMNASTK4
SCHEMBL4442257 0.83 PIK3CA (0.71) KDM4EPIK3CAMTORPIK3CGLMNA
SCHEMBL4449028 0.83 GAA (0.59) KDM4EGAAPIK3CAMTORPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101730697-A Imidazopyrimidine analogs and their use as PI3 kinase and MTOR inhibitors WYETH CORP 2010-06-09 CN claimed
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
CN-101730697-A Imidazopyrimidine analogs and their use as PI3 kinase and MTOR inhibitors WYETH CORP 2010-06-09 CN disclosed
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 KDM4E 2536/4885GAA 510/4885HTT 883/4885

“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.