SCHEMBL10070656

SCHEMBL10070656

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

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 4/20 0.42
PIK3CA P42336 16/20 0.41
MTOR P42345 16/20 0.41

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
SCHEMBL808268 0.90 PIK3CA (0.51) MAP3K12PIK3CAMTOR
SCHEMBL808099 0.89 PIK3CA (0.43) PIK3CAMTOR
SCHEMBL797626 0.88 MAP3K12 (0.42) MAP3K12PIK3CAMTOR
SCHEMBL807834 0.88 MTOR (0.51) MAP3K12PIK3CAMTOR
SCHEMBL10069678 0.87 PIK3CA (0.50) MAP3K12PIK3CAMTOR
SCHEMBL808353 0.87 PIK3CA (0.50) MAP3K12PIK3CAMTOR
SCHEMBL10070659 0.86 MAP3K12 (0.41) MAP3K12PIK3CAMTOR
SCHEMBL808266 0.85 MTOR (0.53) MAP3K12PIK3CAMTOR
SCHEMBL10069681 0.83 JAK1 (0.46) MAP3K12PIK3CAMTOR
SCHEMBL15133591 0.82 PIK3CA (0.51) MAP3K12PIK3CAMTOR

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 4755/4885PIK3CA 1962/4885MTOR 4193/4885

“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.