SCHEMBL1650388

SCHEMBL1650388

CNS(=O)(=O)c1ccc(-c2ccc3nc(NC(C)=O)sc3n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.49
MTOR P42345 10/20 0.49
AKT1 P31749 10/20 0.49
PIK3CG P48736 4/20 0.46
PIK3CD O00329 3/20 0.46
PIK3CB P42338 3/20 0.46
DYRK1A Q13627 2/20 0.44
ADORA1 P30542 1/20 0.44
PRKDC P78527 1/20 0.43
PIK3C3 Q8NEB9 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL1651590 0.88 PIK3CA (0.59) PIK3CAMTORAKT1PIK3CGPIK3CD
SCHEMBL1650409 0.83 KMT2A (0.51) PIK3CAPIK3CGDYRK1AADORA1MEN1
SCHEMBL1651318 0.81 TP53 (0.44) PIK3CAMTORAKT1PIK3CGPIK3CD
SCHEMBL1653654 0.81 SMN1; SMN2 (0.62) PIK3CAPIK3CGPIK3CBDYRK1AADORA1
SCHEMBL1651603 0.80 DYRK1A (0.50) PIK3CAPIK3CGDYRK1AADORA1
SCHEMBL1650997 0.80 DYRK1A (0.60) PIK3CAPIK3CGPIK3CDPIK3CBDYRK1A
SCHEMBL1622027 0.78 PIK3CA (0.60) PIK3CAMTORAKT1MEN1KMT2A
SCHEMBL1650938 0.77 PIK3CA (0.51) PIK3CAPIK3CGDYRK1AADORA1
SCHEMBL1619401 0.76 PIK3CA (0.59) PIK3CAMTORAKT1PIK3CGPIK3CD
SCHEMBL1650746 0.76 PIK3CA (0.51) PIK3CAMTORPIK3CGPIK3CDPIK3CB

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
US-20110178070-A1 PI3K/mTOR INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-21 US claimed
US-20110178070-A1 PI3K/mTOR INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-21 US disclosed
US-20110178070-A1 PI3K/mTOR INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-21 US disclosed
EP-2311842-A2 PI3K/M TOR inhibitors Takeda Pharmaceutical Company Limited (JP) 2011-04-20 EP 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-20110178070-A1 PI3K/mTOR INHIBITORS MTOR, RICTOR, PIK3CA PIK3CA 3/4885MTOR 1/4885AKT1 20/4885

“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.