SCHEMBL752556

SCHEMBL752556

CC(=O)Nc1cc(-c2c(Nc3cc[nH]n3)nc3ccccn23)nc(C)n1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTOR P42345 11/20 0.72
PIK3CA P42336 11/20 0.72
USP7 Q93009 1/20 0.44
CDK4 P11802 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38
PIK3CB P42338 1/20 0.37
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
CYP3A4 P08684 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 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
SCHEMBL751578 0.85 MTOR (0.53) MTORPIK3CAADORA2AADORA1CYP3A4
SCHEMBL755161 0.84 MTOR (0.71) MTORPIK3CAADORA2AADORA1
SCHEMBL2787610 0.84 MTOR (1.00) MTORPIK3CAUSP7CDK4CCNE1
SCHEMBL765755 0.83 PIK3CA (0.66) MTORPIK3CAUSP7CDK4CCNE1
SCHEMBL2788163 0.82 MTOR (0.57) MTORPIK3CAADORA2AADORA1CYP3A4
Trifluoroacetic Acid SCHEMBL750931 0.81 PIK3CA (0.56) MTORPIK3CACDK4CCNE1CDK2
SCHEMBL2786752 0.79 MTOR (0.66) MTORPIK3CAUSP7CDK4CCNE1
SCHEMBL11893326 0.77 PIK3CA (0.47) MTORPIK3CA
SCHEMBL753025 0.76 MTOR (0.50) MTORPIK3CAADORA2AADORA1CYP3A4
SCHEMBL11028412 0.76 PIK3CA (0.57) MTORPIK3CALMNAPIK3CBKDM4E

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 MTOR 21/4885PIK3CA 1/4885USP7 3522/4885

“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.