SCHEMBL757042

SCHEMBL757042

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

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTOR P42345 16/20 0.78
PIK3CA P42336 15/20 0.78
NOTUM Q6P988 1/20 0.39
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TGFBR1 P36897 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL755585 0.90 MTOR (0.81) MTORPIK3CANOTUMKDM4EALDH1A1
SCHEMBL757661 0.88 MTOR (0.78) MTORPIK3CAKDM4EALDH1A1LMNA
SCHEMBL2787359 0.88 MTOR (1.00) MTORPIK3CA
SCHEMBL2789558 0.88 MTOR (0.77) MTORPIK3CA
SCHEMBL11031102 0.88 MTOR (0.77) MTORPIK3CAKDM4EALDH1A1LMNA
SCHEMBL752869 0.84 MTOR (0.70) MTORPIK3CA
SCHEMBL755586 0.83 MTOR (0.75) MTORPIK3CA
SCHEMBL755072 0.81 MTOR (0.73) MTORPIK3CA
SCHEMBL11031510 0.80 MTOR (0.73) MTORPIK3CA
SCHEMBL2789910 0.80 MTOR (0.71) 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 1/4885NOTUM 3094/4885

“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.