SCHEMBL5914255

SCHEMBL5914255

CN(c1ccnc(NC(C)(C)CNC(=O)O)n1)c1cc(-c2ccccc2)cc(=O)n1C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 1/20 0.36
▸ AURKA O14965 1/20 0.33
▸ KDR P35968 9/20 0.33
▸ PLK1 P53350 2/20 0.32
▸ MAPK14 Q16539 5/20 0.32
▸ LCK P06239 2/20 0.32
▸ SRC P12931 2/20 0.32
▸ ACACB O00763 1/20 0.31
▸ ACACA Q13085 1/20 0.31
▸ PARP1 P09874 1/20 0.31
▸ GSK3B P49841 1/20 0.31

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
SCHEMBL5267139 0.91 ACACB (0.41) ACACBACACAPARP1
SCHEMBL5914046 0.80 AURKA (0.39) AURKAKDRMAPK14ACACBACACA
SCHEMBL5914262 0.79 MAPK14 (0.37) AURKAMAPK14
SCHEMBL5914172 0.76 MAPK14 (0.35) MAPK14
SCHEMBL5341690 0.75 USP30 (0.48) MAPK14
SCHEMBL5315409 0.72 KDM4E (0.39) MAPK14GSK3B
SCHEMBL5341694 0.71 MAPK14 (0.43) MAPK14
SCHEMBL5264835 0.70 ACACB (0.44) AURKAACACBACACAPARP1
SCHEMBL5914334 0.65 AURKA (0.38) AURKAKDRMAPK14
SCHEMBL5914408 0.63 CYP1A2 (0.40) AURKAKDR

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 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 SCD 2449/4885AURKA 2082/4885KDR 210/4885

“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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