SCHEMBL11029117

SCHEMBL11029117

Nc1nc2ccccn2c1-c1cnc2[nH]ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK8 P49336 6/20 0.52
▸ AXL P30530 2/20 0.52
▸ USP7 Q93009 2/20 0.51
▸ PIK3CA P42336 4/20 0.45
▸ PIK3CD O00329 3/20 0.45
▸ PIK3CB P42338 3/20 0.45
▸ PIK3CG P48736 3/20 0.45
▸ RIPK1 Q13546 3/20 0.44
▸ CCNT1 O60563 1/20 0.43
▸ CCND1 P24385 1/20 0.43
▸ CCNC P24863 1/20 0.43
▸ CDK7 P50613 1/20 0.43
▸ CDK9 P50750 1/20 0.43
▸ CCNH P51946 1/20 0.43
▸ MNAT1 P51948 1/20 0.43
▸ CDK6 Q00534 1/20 0.43
▸ ABL1 P00519 3/20 0.43
▸ SRC P12931 3/20 0.43
▸ KDR P35968 3/20 0.43
▸ EGFR P00533 2/20 0.43

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
SCHEMBL30508310 0.77 CDK8 (0.51) CDK8AXLPIK3CAPIK3CDPIK3CB
SCHEMBL19048703 0.73 USP7 (0.76) CDK8USP7CDK7CDK9ABL1
SCHEMBL11031736 0.71 USP7 (0.63) CDK8USP7CDK7CDK9ABL1
SCHEMBL4831501 0.71 CDK8 (0.81) CDK8AXLPIK3CAPIK3CDPIK3CB
SCHEMBL410704 0.70 CDK8 (1.00) CDK8AXLPIK3CAPIK3CDPIK3CB
SCHEMBL12127568 0.70 CDK8 (0.64) CDK8AXLPIK3CAPIK3CDPIK3CB
SCHEMBL11028623 0.69 USP7 (0.69) CDK8USP7CDK7CDK9ABL1
SCHEMBL24285974 0.69 RIPK1 (0.50) CDK8AXLPIK3CAPIK3CDPIK3CB
SCHEMBL11026812 0.69 USP7 (0.60) CDK8USP7CDK7CDK9ABL1
SCHEMBL4932189 0.68 FGFR1 (0.39) CDK8AXLPIK3CAKDRFGFR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors AMGEN INC. (US) 2012-07-26 — — US 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 CDK8 327/4885AXL 1325/4885USP7 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.

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