SCHEMBL5264843

SCHEMBL5264843

CC(CN(C)C(=O)OC(C)(C)C)Nc1nccc(N(C)c2ccnc(-c3ccccc3)n2)n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 16/20 0.41
▸ AURKA O14965 1/20 0.38
▸ USP2 O75604 2/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CKS1B P61024 1/20 0.38
▸ SKP1 P63208 1/20 0.38
▸ SKP2 Q13309 1/20 0.38
▸ TSHR P16473 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36

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
SCHEMBL5914053 0.88 MAPK14 (0.44) MAPK14AURKA
SCHEMBL5914172 0.82 MAPK14 (0.35) MAPK14CKS1BSKP1SKP2
SCHEMBL5914093 0.79 MAPK14 (0.39) MAPK14USP2CYP1A2CYP3A4CYP2D6
SCHEMBL5914098 0.79 MAPK14 (0.39) MAPK14USP2CYP1A2CYP3A4CYP2D6
SCHEMBL5264835 0.76 ACACB (0.44) AURKAUSP2CYP1A2CYP3A4CYP2D6
SCHEMBL5914013 0.76 MAPK14 (0.44) MAPK14AURKA
SCHEMBL5914027 0.76 MAPK14 (0.44) MAPK14AURKA
SCHEMBL5913857 0.75 HTR7 (0.42) MAPK14USP2CYP1A2CYP3A4CYP2D6
SCHEMBL5913860 0.75 NPR3 (0.47) MAPK14AURKAUSP2CYP1A2CYP3A4
SCHEMBL5261647 0.75 NPR3 (0.47) MAPK14AURKAUSP2CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1794135-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-06-13 — — EP disclosed
WO-2006037117-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-04-06 — — WO disclosed
US-20060069110-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2006-03-30 — — 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-20060069110-A1 Substituted heterocyclic compounds and methods of use MAPT, MYLK2, IAPP MAPK14 2620/4885AURKA 2082/4885USP2 2383/4885

“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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