SCHEMBL5914331

SCHEMBL5914331

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.38
▸ MAPK14 Q16539 15/20 0.36
▸ CYP1A2 P05177 3/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CYP2C19 P33261 1/20 0.32
▸ KDR P35968 1/20 0.32

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 0.78 AURKA (0.39) AURKAMAPK14CYP1A2CYP3A4ALDH1A1
SCHEMBL5913896 0.76 TAAR1 (0.46) AURKAMAPK14CYP1A2CYP3A4ALDH1A1
SCHEMBL5913876 0.76 TAAR1 (0.46) AURKAMAPK14CYP1A2CYP3A4ALDH1A1
SCHEMBL5264552 0.76 CYP1A2 (0.43) AURKAMAPK14CYP1A2CYP3A4ALDH1A1
SCHEMBL5914334 0.75 AURKA (0.38) AURKAMAPK14CYP1A2CYP3A4ALDH1A1
SCHEMBL5264835 0.74 ACACB (0.44) AURKACYP1A2CYP3A4ALDH1A1CYP2D6
SCHEMBL5914053 0.74 MAPK14 (0.44) AURKAMAPK14
SCHEMBL5264843 0.74 MAPK14 (0.41) AURKAMAPK14CYP1A2CYP3A4ALDH1A1
SCHEMBL5914408 0.73 CYP1A2 (0.40) AURKACYP1A2CYP3A4ALDH1A1CYP2D6
SCHEMBL5914013 0.72 MAPK14 (0.44) AURKAMAPK14

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-20060069110-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2006-03-30 — — US claimed

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 AURKA 2082/4885MAPK14 2620/4885CYP1A2 1159/4885

“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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