SCHEMBL10070645

SCHEMBL10070645

COCC(=O)N1CCC(n2nnc3cnc4ccc(-c5cnc(N)c(C(F)(F)F)c5)nc4c32)CC1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.51
MTOR P42345 17/20 0.51
PKM P14618 1/20 0.50
MET P08581 2/20 0.40

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
SCHEMBL10070647 0.93 PIK3CA (0.47) PIK3CAMTORPKM
SCHEMBL10070641 0.92 MTOR (0.50) PIK3CAMTOR
SCHEMBL15131779 0.90 PIK3CA (0.51) PIK3CAMTOR
SCHEMBL808260 0.90 MTOR (0.44) PIK3CAMTOR
SCHEMBL15133601 0.90 PIK3CA (0.43) PIK3CAMTOR
SCHEMBL15131764 0.89 PIK3CA (0.54) PIK3CAMTORPKMMET
SCHEMBL808258 0.89 MTOR (0.43) PIK3CAMTOR
SCHEMBL10070642 0.88 PIK3CD (0.43) PIK3CAMTOR
SCHEMBL797854 0.87 PIK3CA (0.50) PIK3CAMTOR
SCHEMBL10070639 0.87 PIK3CA (0.51) PIK3CAMTOR

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 4193/4885PKM 3274/4885

“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.