SCHEMBL808106

SCHEMBL808106

CC1(CN2CCC(n3nnc4cnc5ccc(-c6cnc(N)c(C(F)(F)F)c6)nc5c43)CC2)COC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.39
PIK3CA P42336 3/20 0.39
MAP3K12 Q12852 14/20 0.39
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
RAF1 P04049 1/20 0.35
MAP2K1 Q02750 1/20 0.35

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
SCHEMBL10069680 0.88 MAP3K12 (0.41) MTORPIK3CAMAP3K12TLR9TLR8
SCHEMBL807978 0.88 MTOR (0.46) MTORPIK3CAMAP3K12
SCHEMBL10070216 0.87 RAF1 (0.45) MTORPIK3CAMAP3K12RAF1MAP2K1
SCHEMBL807979 0.85 MAP3K12 (0.40) MTORPIK3CAMAP3K12
SCHEMBL10070651 0.85 MAP3K12 (0.46) MTORPIK3CAMAP3K12
SCHEMBL796725 0.85 MAP3K12 (0.40) MTORPIK3CAMAP3K12
SCHEMBL10070700 0.85 MTOR (0.46) MTORPIK3CAMAP3K12
SCHEMBL15133595 0.84 MAP3K12 (0.45) MTORPIK3CAMAP3K12
SCHEMBL796730 0.82 PIK3CA (0.49) MTORPIK3CAMAP3K12
SCHEMBL10070701 0.81 MTOR (0.41) MTORPIK3CAMAP3K12

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 5 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-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
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 MTOR 4193/4885PIK3CA 1962/4885MAP3K12 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.