SCHEMBL11025352

SCHEMBL11025352

Cc1nc(N)cc(-c2c(Nc3ccn(C(=O)Nc4cc(F)ccc4F)n3)nc3cccnn23)n1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.54
MTOR P42345 15/20 0.54
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAPK13 O15264 4/20 0.35
MAPK12 P53778 4/20 0.35
MAPK11 Q15759 4/20 0.35
MAPK14 Q16539 4/20 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
SCHEMBL11026520 0.92 MTOR (0.55) PIK3CAMTORMAPK13MAPK12MAPK11
SCHEMBL11030527 0.91 MTOR (0.51) PIK3CAMTORMAPK13MAPK12MAPK11
SCHEMBL11032555 0.88 MTOR (0.56) PIK3CAMTORMAPK13MAPK12MAPK11
SCHEMBL11027586 0.88 MTOR (0.57) PIK3CAMTORMAPK13MAPK12MAPK11
SCHEMBL11030063 0.86 PIK3CA (0.54) PIK3CAMTOR
SCHEMBL751618 0.86 MTOR (0.58) PIK3CAMTORMAPK13MAPK12MAPK11
SCHEMBL11028499 0.86 PIK3CA (0.53) PIK3CAMTOR
SCHEMBL11031064 0.85 MTOR (0.59) PIK3CAMTOR
SCHEMBL11031381 0.85 MTOR (0.56) PIK3CAMTOR
SCHEMBL11030735 0.85 MTOR (0.57) PIK3CAMTORNPC1RAB9AMAPK13

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
EP-2430013-B1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC (US) 2014-10-15 EP claimed
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors AMGEN INC. (US) 2012-07-26 US claimed
EP-2430013-B1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC (US) 2014-10-15 EP 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-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors PIK3CA, PIKFYVE, PIK3CD PIK3CA 1/4885MTOR 21/4885NPC1 732/4885

“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.