SCHEMBL16023809

SCHEMBL16023809

CC(C)(C)OC(=O)NN1CCC(n2cc(N)cn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DDB1 Q16531 1/20 0.42
▸ CRBN Q96SW2 1/20 0.42
▸ KDM5A P29375 1/20 0.41
▸ TNK2 Q07912 1/20 0.36
▸ JAK3 P52333 2/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ PTK2 Q05397 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ LCK P06239 1/20 0.35
▸ BTK Q06187 1/20 0.35
▸ CCNC P24863 1/20 0.35
▸ CDK8 P49336 1/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ ACHE P22303 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ GPR119 Q8TDV5 2/20 0.34
▸ CTSD P07339 1/20 0.34
▸ CTSE P14091 1/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ PIK3CA P42336 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
SCHEMBL16023769 0.82 JAK1 (0.45) JAK3JAK2IRAK4PIK3CAMTOR
SCHEMBL15199671 0.82 JAK1 (0.45) JAK3JAK2IRAK4PIK3CAMTOR
SCHEMBL520714 0.81 DDB1 (0.56) DDB1CRBNKDM5ATNK2JAK3
SCHEMBL14764140 0.80 KDM5A (0.41) DDB1CRBNKDM5ATNK2JAK3
SCHEMBL30955742 0.78 DDB1 (0.52) DDB1CRBNKDM5ATNK2JAK3
SCHEMBL30955768 0.78 DDB1 (0.52) DDB1CRBNKDM5ATNK2JAK3
SCHEMBL9951885 0.78 DDB1 (0.52) DDB1CRBNKDM5ATNK2JAK3
SCHEMBL27834485 0.78 KDM5A (0.43) DDB1CRBNKDM5ATNK2JAK3
SCHEMBL1703557 0.77 KDM5A (0.53) DDB1CRBNKDM5ATNK2JAK3
SCHEMBL1703877 0.77 KDM5A (0.53) DDB1CRBNKDM5ATNK2JAK3

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
US-9617266-B2 Imidazopyrimidine derivatives MERCK PATENT GMBH (DE) 2017-04-11 — — US disclosed
EP-2964648-B1 9-(ARYL OR HETEROARYL)-2-(PYRAZOLYL, PYRROLIDINYL OR CYCLOPENTYL)AMINOPURINE DERIVATIVES AS ANTICANCER AGENTS MERCK PATENT GMBH (DE) 2016-11-16 — — EP disclosed
US-20160002242-A1 IMIDAZOPYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2016-01-07 — — US disclosed
WO-2014135245-A1 9-(ARYL OR HETEROARYL)-2-(PYRAZOLYL, PYRROLIDINYL OR CYCLOPENTYL)AMINOPURINE DERIVATIVES AS ANTICANCER AGENTS MERCK PATENT GMBH (DE) 2014-09-12 — — 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-20160002242-A1 IMIDAZOPYRIMIDINE DERIVATIVES EIF2AK4, GCN1, EIF4A2 DDB1 150/4885CRBN 2490/4885KDM5A 3849/4885

“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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