SCHEMBL11029468

SCHEMBL11029468

Cc1nc(NC(=O)CC(F)(F)F)cc(-c2c(Nc3ccn(C)n3)nc3ccccn23)n1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTOR P42345 9/20 0.76
PIK3CA P42336 8/20 0.76
ALDH1A1 P00352 2/20 0.38
HTT P42858 2/20 0.38
CSNK1D P48730 4/20 0.37
CSNK1E P49674 4/20 0.37
CDK4 P11802 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
NOTUM Q6P988 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
USP7 Q93009 1/20 0.35
TGFBR1 P36897 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
SCHEMBL11031102 0.87 MTOR (0.77) MTORPIK3CAALDH1A1HTTSMN1; SMN2
SCHEMBL2787610 0.87 MTOR (1.00) MTORPIK3CACSNK1DCSNK1ECDK4
SCHEMBL756436 0.86 MTOR (0.76) MTORPIK3CAALDH1A1HTTCSNK1D
SCHEMBL755854 0.85 MTOR (0.71) MTORPIK3CAALDH1A1CSNK1DCSNK1E
SCHEMBL11028255 0.84 MTOR (0.53) MTORPIK3CAALDH1A1HTTCSNK1D
Trifluoroacetic Acid SCHEMBL754788 0.82 MTOR (0.62) MTORPIK3CAALDH1A1CSNK1DLMNA
SCHEMBL752642 0.82 MTOR (0.69) MTORPIK3CAALDH1A1CDK2LMNA
SCHEMBL751580 0.78 MTOR (0.71) MTORPIK3CACDK4CDK2USP7
SCHEMBL760864 0.78 MTOR (0.51) MTORPIK3CACSNK1DCSNK1E
SCHEMBL754787 0.77 MTOR (0.61) MTORPIK3CACDK4CCNE1CDK2

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 3 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-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 1/4885ALDH1A1 4785/4885

“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.