SCHEMBL755585

SCHEMBL755585

Cc1nc(NC(=O)CN)cc(-c2c(Nc3ccn(C)n3)nc3cccnn23)n1

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTOR P42345 17/20 0.81
PIK3CA P42336 16/20 0.81
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NOTUM Q6P988 1/20 0.35
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 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
SCHEMBL757661 0.90 MTOR (0.78) MTORPIK3CAKDM4EALDH1A1LMNA
SCHEMBL757042 0.90 MTOR (0.78) MTORPIK3CAKDM4EALDH1A1LMNA
SCHEMBL2787359 0.89 MTOR (1.00) MTORPIK3CA
SCHEMBL11031102 0.89 MTOR (0.77) MTORPIK3CAKDM4EALDH1A1LMNA
SCHEMBL2789558 0.89 MTOR (0.77) MTORPIK3CA
SCHEMBL755586 0.86 MTOR (0.75) MTORPIK3CA
SCHEMBL752869 0.85 MTOR (0.70) MTORPIK3CAMAPK13MAPK12MAPK11
SCHEMBL751300 0.82 MTOR (0.72) MTORPIK3CA
SCHEMBL2789910 0.82 MTOR (0.71) MTORPIK3CAMAPK13MAPK12MAPK11
SCHEMBL755072 0.82 MTOR (0.73) MTORPIK3CAMAPK13MAPK12MAPK11

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 1/4885KDM4E 1665/4885

“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.