SCHEMBL2787359

SCHEMBL2787359

CC(=O)Nc1cc(-c2c(Nc3ccn(C)n3)nc3cccnn23)nc(C)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTOR P42345 16/20 1.00
PIK3CA P42336 15/20 1.00
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
PDE4B Q07343 2/20 0.36
PDE4D Q08499 2/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL755585 0.89 MTOR (0.81) MTORPIK3CA
SCHEMBL754888 0.89 MTOR (0.80) MTORPIK3CAADORA2AADORA1CYP3A4
SCHEMBL757042 0.88 MTOR (0.78) MTORPIK3CA
SCHEMBL757661 0.88 MTOR (0.78) MTORPIK3CAADORA2AADORA1
SCHEMBL2789558 0.87 MTOR (0.77) MTORPIK3CAPDE4BPDE4D
SCHEMBL11031102 0.87 MTOR (0.77) MTORPIK3CAPDE4BPDE4D
SCHEMBL16168561 0.87 MTOR (0.77) MTORPIK3CAPDE4BPDE4D
SCHEMBL2786633 0.86 MTOR (0.76) MTORPIK3CAADORA2AADORA1CYP3A4
SCHEMBL755586 0.86 MTOR (0.75) MTORPIK3CAPDE4BPDE4D
SCHEMBL755072 0.85 MTOR (0.73) MTORPIK3CAPDE4BPDE4D

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 8 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
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
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors AMGEN INC. (US) 2012-07-26 US disclosed
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors AMGEN INC. (US) 2012-07-26 US disclosed
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors AMGEN INC. (US) 2012-07-26 US disclosed
WO-2010132598-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC. (US) 2010-11-18 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-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.