SCHEMBL2787352

SCHEMBL2787352

CC(=O)NCc1ccc(-c2ccc3nc(Nc4ccn(C)n4)c(-c4cc(N)nc(C)n4)n3n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTOR P42345 10/20 0.52
PIK3CA P42336 9/20 0.52
KLKB1 P03952 3/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PARP1 P09874 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
RIPK1 Q13546 2/20 0.33
ATR Q13535 1/20 0.33
TP53 P04637 1/20 0.32

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
SCHEMBL754238 0.87 MTOR (0.40) MTORPIK3CANPC1RAB9AKDM4E
SCHEMBL751696 0.85 MTOR (0.50) MTORPIK3CAKLKB1NPC1RAB9A
SCHEMBL750591 0.81 MTOR (0.54) MTORPIK3CA
SCHEMBL748975 0.79 MTOR (0.49) MTORPIK3CA
SCHEMBL751893 0.77 MTOR (0.47) MTORPIK3CAKDM4ESMN1; SMN2
SCHEMBL749526 0.77 MTOR (0.55) MTORPIK3CA
SCHEMBL2786709 0.75 MTOR (0.65) MTORPIK3CANPC1RAB9AKDM4E
SCHEMBL754686 0.74 KDM4E (0.44) MTORPIK3CANPC1RAB9AKDM4E
SCHEMBL751300 0.74 MTOR (0.72) MTORPIK3CA
SCHEMBL751459 0.71 PIK3CA (0.42) 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 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
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 1/4885KLKB1 2706/4885

“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.