SCHEMBL796730

SCHEMBL796730

CN(C)C(=O)CN1CCC(n2nnc3cnc4ccc(-c5cnc(N)c(C(F)(F)F)c5)nc4c32)CC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.49
MTOR P42345 10/20 0.49
MAP4K4 O95819 5/20 0.44
CTSS P25774 3/20 0.40
CTSK P43235 1/20 0.38
MAP3K12 Q12852 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37

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
SCHEMBL15133591 0.88 PIK3CA (0.51) PIK3CAMTORMAP4K4CTSSCTSK
SCHEMBL807978 0.88 MTOR (0.46) PIK3CAMTORMAP3K12
SCHEMBL10070214 0.87 MTOR (0.54) PIK3CAMTORMAP4K4
SCHEMBL15131779 0.87 PIK3CA (0.51) PIK3CAMTORMAP4K4
SCHEMBL10070700 0.86 MTOR (0.46) PIK3CAMTORMAP4K4MAP3K12
SCHEMBL10070641 0.86 MTOR (0.50) PIK3CAMTORMAP4K4
SCHEMBL807979 0.85 MAP3K12 (0.40) PIK3CAMTORMAP3K12
SCHEMBL10070651 0.85 MAP3K12 (0.46) PIK3CAMTORMAP4K4MAP3K12
SCHEMBL10070647 0.85 PIK3CA (0.47) PIK3CAMTOR
SCHEMBL10070642 0.85 PIK3CD (0.43) PIK3CAMTORMAP4K4MAP3K12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181264-B2 Fused heteroaryls and their uses HUTCHISON MEDIPHARMA LIMITED (CN) 2015-11-10 US disclosed
US-9181264-B2 Fused heteroaryls and their uses HUTCHISON MEDIPHARMA LIMITED (CN) 2015-11-10 US disclosed
US-9181264-B2 Fused heteroaryls and their uses HUTCHISON MEDIPHARMA LIMITED (CN) 2015-11-10 US disclosed
US-20130190307-A1 FUSED HETEROARYLS AND THEIR USES HUTCHISON MEDIPHARMA LIMITED (CN) 2013-07-25 US disclosed
US-20130190307-A1 FUSED HETEROARYLS AND THEIR USES HUTCHISON MEDIPHARMA LIMITED (CN) 2013-07-25 US disclosed
US-20130190307-A1 FUSED HETEROARYLS AND THEIR USES HUTCHISON MEDIPHARMA LIMITED (CN) 2013-07-25 US disclosed
EP-2616468-A1 FUSED HETEROARYLS AND THEIR USES Hutchison Medipharma Limited (CN) 2013-07-24 EP disclosed
WO-2012034526-A1 FUSED HETEROARYLS AND THEIR USES HUTCHISON MEDIPHARMA LIMITED (CN) 2012-03-22 WO 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-20130190307-A1 FUSED HETEROARYLS AND THEIR USES FARS2, TIAL1, DHFR PIK3CA 1962/4885MTOR 4193/4885MAP4K4 4594/4885

“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.