SCHEMBL755032

SCHEMBL755032

COCCOc1cnnc(Nc2cc(-c3c(Nc4ccc(NC(C)=O)cc4)nc4cccnn34)nc(C)n2)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.58
MTOR P42345 14/20 0.58
CYP3A4 P08684 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
CDK2 P24941 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
ROR1 Q01973 1/20 0.35
EGFR P00533 1/20 0.35
BTK Q06187 1/20 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
SCHEMBL11030417 0.92 PIK3CA (0.56) PIK3CAMTORCDK2MAPKAPK2ROR1
SCHEMBL752881 0.87 PIK3CA (0.60) PIK3CAMTORCDK2MAPKAPK2EGFR
SCHEMBL750322 0.84 PIK3CA (0.64) PIK3CAMTORCDK2MAPKAPK2
SCHEMBL753916 0.82 PIK3CA (0.61) PIK3CAMTORCDK2MAPKAPK2
SCHEMBL755340 0.78 PIK3CA (0.54) PIK3CAMTORCDK2MAPKAPK2
SCHEMBL11026828 0.75 PIK3CA (0.51) PIK3CAMTORCDK2MAPKAPK2
SCHEMBL2787098 0.75 MTOR (0.69) PIK3CAMTORADORA2AADORA1
SCHEMBL756588 0.75 MTOR (0.71) PIK3CAMTOR
SCHEMBL11025368 0.75 PIK3CA (0.75) PIK3CAMTOR
SCHEMBL11026838 0.74 PIK3CA (0.51) PIK3CAMTORCDK2MAPKAPK2

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
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-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS Amgen, Inc (US) 2012-03-21 EP claimed
WO-2010132598-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC. (US) 2010-11-18 WO 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 21/4885CYP3A4 1828/4885

“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.