SCHEMBL753025

SCHEMBL753025

CC(=O)Nc1cc(-c2c(Nc3cc[nH]n3)nc3ccc(-c4cncnc4)nn23)nc(C)n1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTOR P42345 12/20 0.50
PIK3CA P42336 12/20 0.50
ADORA2A P29274 4/20 0.36
ADORA1 P30542 4/20 0.36
CYP3A4 P08684 3/20 0.35
KCNH2 Q12809 1/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PIK3CG P48736 1/20 0.34

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
SCHEMBL752419 0.89 MTOR (0.47) MTORPIK3CA
SCHEMBL751467 0.85 PIK3CA (0.45) MTORPIK3CAPIK3CG
SCHEMBL2788163 0.85 MTOR (0.57) MTORPIK3CAADORA2AADORA1CYP3A4
SCHEMBL754686 0.81 KDM4E (0.44) MTORPIK3CAKDM4ESMN1; SMN2
SCHEMBL755161 0.81 MTOR (0.71) MTORPIK3CAADORA2AADORA1
SCHEMBL752556 0.76 MTOR (0.72) MTORPIK3CAADORA2AADORA1CYP3A4
SCHEMBL754238 0.76 MTOR (0.40) MTORPIK3CAKDM4ESMN1; SMN2
SCHEMBL2785811 0.76 PIK3CA (0.48) MTORPIK3CA
SCHEMBL751459 0.74 PIK3CA (0.42) MTORPIK3CA
SCHEMBL756258 0.73 MTOR (0.65) MTORPIK3CAADORA2AADORA1CYP3A4

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 4 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
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 1/4885ADORA2A 4122/4885

“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.