SCHEMBL2771002

SCHEMBL2771002

Cc1nc(N)cc(-c2c(Nc3cccc(C(F)(F)F)n3)nc3ccccn23)n1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.60
MTOR P42345 12/20 0.60
PIK3CB P42338 1/20 0.40
NPC1 O15118 1/20 0.37
GRM5 P41594 1/20 0.36
JAK2 O60674 1/20 0.36
CDK4 P11802 2/20 0.35
CDK2 P24941 2/20 0.35
CCNE1 P24864 1/20 0.35
TAS2R14 Q9NYV8 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
NR2F2 P24468 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL2787861 0.83 PIK3CA (0.68) PIK3CAMTORPIK3CBCDK4CDK2
SCHEMBL751580 0.80 MTOR (0.71) PIK3CAMTORPIK3CBCDK4CDK2
SCHEMBL765755 0.79 PIK3CA (0.66) PIK3CAMTORPIK3CBCDK4CDK2
SCHEMBL2790496 0.78 PIK3CA (0.62) PIK3CAMTORPIK3CBCDK4CDK2
SCHEMBL2788243 0.78 PIK3CA (0.61) PIK3CAMTORPIK3CBCDK4CDK2
SCHEMBL2787959 0.77 PIK3CA (0.63) PIK3CAMTORPIK3CBCDK4CDK2
Trifluoroacetic Acid SCHEMBL750931 0.77 PIK3CA (0.56) PIK3CAMTORPIK3CBJAK2CDK4
SCHEMBL16161680 0.76 MTOR (0.60) PIK3CAMTORPIK3CBCDK4CDK2
SCHEMBL11028557 0.76 MTOR (0.59) PIK3CAMTORPIK3CBCDK4CDK2
SCHEMBL11030543 0.74 PIK3CA (0.59) PIK3CAMTORPIK3CBCDK4CDK2

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 PIK3CA 1/4885MTOR 21/4885PIK3CB 8/4885

“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.