SCHEMBL749983

SCHEMBL749983

Cc1nc(N)cc(-c2c(Nc3cc[nH]n3)nc3cc(C(F)(F)F)ccn23)n1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.46
MTOR P42345 8/20 0.46
USP7 Q93009 1/20 0.39
PIK3CB P42338 1/20 0.32
FGFR3 P22607 1/20 0.31
KDR P35968 1/20 0.31
TRPA1 O75762 1/20 0.31

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
SCHEMBL11031149 0.87 MTOR (0.44) PIK3CAMTORUSP7PIK3CBTRPA1
SCHEMBL16161614 0.86 PIK3CA (0.46) PIK3CAMTORUSP7PIK3CB
SCHEMBL765755 0.83 PIK3CA (0.66) PIK3CAMTORUSP7PIK3CB
Trifluoroacetic Acid SCHEMBL750931 0.81 PIK3CA (0.56) PIK3CAMTORPIK3CBKDR
SCHEMBL756037 0.78 PIK3CA (0.46) PIK3CAMTORPIK3CB
SCHEMBL750520 0.75 PIK3CA (0.67) PIK3CAMTORPIK3CB
SCHEMBL754088 0.74 MTOR (0.51) PIK3CAMTOR
SCHEMBL751532 0.72 PIK3CA (0.51) PIK3CAMTORPIK3CB
SCHEMBL2787076 0.71 PIK3CA (0.48) PIK3CAMTORPIK3CB
SCHEMBL2771002 0.71 PIK3CA (0.60) PIK3CAMTORPIK3CB

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 PIK3CA 1/4885MTOR 21/4885USP7 3522/4885

“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.