SCHEMBL808268

SCHEMBL808268

CC(=O)N1CCC(n2cnc3cnc4ccc(-c5cnc(N)c(C(F)(F)F)c5)nc4c32)CC1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.51
MTOR P42345 13/20 0.51
MAP3K12 Q12852 5/20 0.46
MAP4K4 O95819 1/20 0.46

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
SCHEMBL797626 0.92 MAP3K12 (0.42) PIK3CAMTORMAP3K12MAP4K4
SCHEMBL807834 0.91 MTOR (0.51) PIK3CAMTORMAP3K12
SCHEMBL808353 0.90 PIK3CA (0.50) PIK3CAMTORMAP3K12
SCHEMBL10069678 0.90 PIK3CA (0.50) PIK3CAMTORMAP3K12
SCHEMBL10070656 0.90 MAP3K12 (0.42) PIK3CAMTORMAP3K12
SCHEMBL10070659 0.90 MAP3K12 (0.41) PIK3CAMTORMAP3K12
SCHEMBL808266 0.89 MTOR (0.53) PIK3CAMTORMAP3K12
SCHEMBL15131832 0.88 PIK3CA (0.53) PIK3CAMTORMAP4K4
SCHEMBL10069681 0.87 JAK1 (0.46) PIK3CAMTORMAP3K12MAP4K4
SCHEMBL15133591 0.86 PIK3CA (0.51) PIK3CAMTORMAP3K12MAP4K4

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
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
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 4193/4885MAP3K12 4755/4885

“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.