SCHEMBL2789202

SCHEMBL2789202

Cc1nc(N)cc(-c2c(Nc3cc[nH]n3)nc3ccc(N4CCOCC4)nn23)n1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTOR P42345 12/20 0.45
PIK3CA P42336 5/20 0.45
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PIK3CD O00329 8/20 0.36
PIK3C2B O00750 8/20 0.36
PIK3CG P48736 7/20 0.36
PIM1 P11309 1/20 0.33
TSHR P16473 1/20 0.33
ALOX15 P16050 1/20 0.33
CSNK1E P49674 2/20 0.32
MAPK14 Q16539 1/20 0.32
CSNK1D P48730 1/20 0.32

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
SCHEMBL2788475 0.90 PIK3CA (0.49) MTORPIK3CANPC1RAB9ASMN1; SMN2
SCHEMBL757233 0.85 PIK3CA (0.39) MTORPIK3CANPC1RAB9APIK3CD
SCHEMBL2789524 0.84 PIK3CA (0.43) MTORPIK3CAPIK3CDPIK3CG
SCHEMBL2791223 0.82 PIK3CA (0.42) MTORPIK3CA
SCHEMBL753578 0.81 PIK3CA (0.40) MTORPIK3CAPIK3CDPIK3CG
SCHEMBL2771989 0.80 PIK3CA (0.51) MTORPIK3CAPIK3CDPIK3CG
SCHEMBL2785811 0.79 PIK3CA (0.48) MTORPIK3CA
SCHEMBL751467 0.78 PIK3CA (0.45) MTORPIK3CAPIK3CDPIK3CG
SCHEMBL2773889 0.77 PIK3CA (0.75) MTORPIK3CASMN1; SMN2
SCHEMBL750520 0.77 PIK3CA (0.67) MTORPIK3CAPIK3CDPIK3CG

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 7 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
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors AMGEN INC. (US) 2012-07-26 US disclosed
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors AMGEN INC. (US) 2012-07-26 US disclosed
WO-2010132598-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC. (US) 2010-11-18 WO 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 1/4885NPC1 732/4885

“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.