SCHEMBL10069680

SCHEMBL10069680

CC1(CN2CCC(n3cnc4cnc5ccc(-c6cnc(N)c(C(F)(F)F)c6)nc5c43)CC2)COC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 13/20 0.41
MTOR P42345 4/20 0.40
PIK3CA P42336 3/20 0.40
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
RAF1 P04049 1/20 0.36
MAP2K1 Q02750 1/20 0.36
MAP4K4 O95819 1/20 0.36

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
SCHEMBL10070216 0.89 RAF1 (0.45) MAP3K12MTORPIK3CARAF1MAP2K1
SCHEMBL808106 0.88 MTOR (0.39) MAP3K12MTORPIK3CATLR9TLR8
SCHEMBL10070655 0.84 MTOR (0.47) MAP3K12MTORPIK3CAMAP4K4
SCHEMBL10069679 0.84 MAP3K12 (0.46) MAP3K12MTORPIK3CA
SCHEMBL10070657 0.83 PIK3CA (0.42) MAP3K12MTORPIK3CAMAP4K4
SCHEMBL15133591 0.82 PIK3CA (0.51) MAP3K12MTORPIK3CAMAP4K4
SCHEMBL808263 0.81 GRIN2B (0.41) MAP3K12MTORPIK3CAMAP4K4
SCHEMBL808268 0.81 PIK3CA (0.51) MAP3K12MTORPIK3CAMAP4K4
SCHEMBL10069681 0.81 JAK1 (0.46) MAP3K12MTORPIK3CAMAP4K4
SCHEMBL807834 0.81 MTOR (0.51) MAP3K12MTORPIK3CA

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 MAP3K12 4755/4885MTOR 4193/4885PIK3CA 1962/4885

“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.