SCHEMBL5264835

SCHEMBL5264835

CN(c1ccnc(NC(C)(C)CNC(=O)OC(C)(C)C)n1)c1ccnc(-c2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 8/20 0.44
▸ ACACA Q13085 5/20 0.44
▸ LATS1 O95835 3/20 0.44
▸ LATS2 Q9NRM7 1/20 0.44
▸ CKS1B P61024 2/20 0.44
▸ SKP1 P63208 2/20 0.44
▸ SKP2 Q13309 2/20 0.44
▸ PARP1 P09874 1/20 0.37
▸ AURKA O14965 1/20 0.37
▸ USP2 O75604 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ GABRA5 P31644 1/20 0.35
▸ IDO1 P14902 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
SCHEMBL5914046 0.89 AURKA (0.39) ACACBACACAAURKAUSP2ALDH1A1
SCHEMBL5267139 0.82 ACACB (0.41) ACACBACACALATS1LATS2CKS1B
SCHEMBL5914334 0.79 AURKA (0.38) AURKAUSP2ALDH1A1CYP1A2CYP3A4
SCHEMBL5913810 0.79 MAPK8 (0.48) ACACBACACACKS1BSKP1SKP2
SCHEMBL5914408 0.78 CYP1A2 (0.40) AURKAUSP2ALDH1A1CYP1A2CYP3A4
SCHEMBL5264552 0.78 CYP1A2 (0.43) ACACBACACAAURKAUSP2ALDH1A1
SCHEMBL5914098 0.78 MAPK14 (0.39) ACACBACACACKS1BSKP1SKP2
SCHEMBL5914093 0.78 MAPK14 (0.39) ACACBACACACKS1BSKP1SKP2
SCHEMBL5264843 0.76 MAPK14 (0.41) CKS1BSKP1SKP2AURKAUSP2
SCHEMBL5914331 0.74 AURKA (0.38) AURKAUSP2ALDH1A1CYP1A2CYP3A4

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 ACACB 2217/4885ACACA 2863/4885LATS1 1842/4885

“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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