SCHEMBL753664

SCHEMBL753664

CC(=O)Nc1cc(-c2c(Nc3ccn(C)n3)nc3c(F)cccn23)nc(C)n1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTOR P42345 7/20 0.74
PIK3CA P42336 7/20 0.74
ADORA2A P29274 7/20 0.39
ADORA3 P0DMS8 1/20 0.39
TGFBR1 P36897 2/20 0.36
TGFBR2 P37173 1/20 0.36
ADORA1 P30542 2/20 0.36
CYP3A4 P08684 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4D Q08499 1/20 0.35
GCK P35557 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
SCHEMBL11032319 0.88 MTOR (0.58) MTORPIK3CAADORA2AADORA3TGFBR1
SCHEMBL2787610 0.85 MTOR (1.00) MTORPIK3CAADORA2AADORA3ADORA1
SCHEMBL751578 0.84 MTOR (0.53) MTORPIK3CAADORA2AADORA3TGFBR1
SCHEMBL11031679 0.80 MTOR (0.49) MTORPIK3CAADORA2AADORA3TGFBR1
SCHEMBL2787359 0.78 MTOR (1.00) MTORPIK3CAADORA2AADORA1CYP3A4
SCHEMBL11030188 0.77 MTOR (1.00) MTORPIK3CAADORA2ATGFBR1ADORA1
SCHEMBL751976 0.75 PIK3CA (0.71) MTORPIK3CAADORA2AADORA1CYP3A4
SCHEMBL11029468 0.74 MTOR (0.76) MTORPIK3CATGFBR1
SCHEMBL755854 0.73 MTOR (0.71) MTORPIK3CAADORA1
SCHEMBL756436 0.73 MTOR (0.76) MTORPIK3CA

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 1/4885ADORA2A 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.