SCHEMBL11031736

SCHEMBL11031736

Nc1nc2ccccn2c1-c1cncnc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP7 Q93009 8/20 0.63
▸ KDM4E B2RXH2 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ GLA P06280 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ DAPK3 O43293 1/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ PRKD3 O94806 1/20 0.42
▸ MAP4K4 O95819 1/20 0.42
▸ ABL1 P00519 1/20 0.42
▸ CSF1R P07333 1/20 0.42
▸ RET P07949 1/20 0.42
▸ MET P08581 1/20 0.42
▸ PDGFRA P16234 1/20 0.42
▸ PRKACA P17612 1/20 0.42

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
SCHEMBL11026812 0.84 USP7 (0.60) USP7KDM4ENPC1ALDH1A1GLA
SCHEMBL19048703 0.83 USP7 (0.76) USP7KDM4ENPC1ALDH1A1GLA
SCHEMBL11028623 0.82 USP7 (0.69) USP7KDM4ENPC1ALDH1A1GLA
SCHEMBL11029117 0.71 CDK8 (0.52) USP7JAK2PRKD3MAP4K4ABL1
SCHEMBL11027795 0.69 USP7 (0.52) USP7KDM4ENPC1ALDH1A1GLA
SCHEMBL752298 0.69 USP7 (0.52) USP7KDM4ENPC1ALDH1A1GLA
SCHEMBL24242364 0.68 KDM4E (0.52) USP7KDM4ENPC1ALDH1A1GLA
SCHEMBL19700040 0.68 KDM4E (0.52) USP7KDM4ENPC1ALDH1A1GLA
SCHEMBL9923883 0.68 ALDH1A1 (0.53) USP7KDM4ENPC1ALDH1A1GLA
SCHEMBL30385408 0.65 ALDH1A1 (0.49) USP7KDM4ENPC1ALDH1A1GLA

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 USP7 3522/4885KDM4E 1665/4885NPC1 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.

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