SCHEMBL796660

SCHEMBL796660

C[C@H](O)C(=O)N1CCC(n2nnc3cnc4ccc(-c5cnc(N)c(C(F)(F)F)c5)nc4c32)CC1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.49
MTOR P42345 17/20 0.49
PIK3CD O00329 1/20 0.49
PIK3CG P48736 1/20 0.49
MAP3K12 Q12852 3/20 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
SCHEMBL15123324 1.00 PIK3CA (0.49) PIK3CAMTORPIK3CDPIK3CGMAP3K12
SCHEMBL796751 1.00 PIK3CA (0.49) PIK3CAMTORPIK3CDPIK3CGMAP3K12
SCHEMBL797854 0.95 PIK3CA (0.50) PIK3CAMTORPIK3CDPIK3CGMAP3K12
SCHEMBL10070639 0.90 PIK3CA (0.51) PIK3CAMTORMAP3K12
SCHEMBL808351 0.89 PIK3CA (0.53) PIK3CAMTORPIK3CDPIK3CG
SCHEMBL10070642 0.89 PIK3CD (0.43) PIK3CAMTORPIK3CDMAP3K12
SCHEMBL15131760 0.89 PIK3CA (0.53) PIK3CAMTORPIK3CDPIK3CG
SCHEMBL10070644 0.89 PIK3CA (0.52) PIK3CAMTORMAP3K12
SCHEMBL10070641 0.89 MTOR (0.50) PIK3CAMTORPIK3CD
SCHEMBL808353 0.88 PIK3CA (0.50) PIK3CAMTORPIK3CDPIK3CGMAP3K12

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 7 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
EP-2616468-A1 FUSED HETEROARYLS AND THEIR USES Hutchison Medipharma Limited (CN) 2013-07-24 EP disclosed
WO-2012034526-A1 FUSED HETEROARYLS AND THEIR USES HUTCHISON MEDIPHARMA LIMITED (CN) 2012-03-22 WO 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 4193/4885PIK3CD 2795/4885

“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.