SCHEMBL91402

SCHEMBL91402

Cc1ccnc(NC[C@@H](C)NC(=O)OCC(C)C)n1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.39
BRAF P15056 15/20 0.39
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
FASN P49327 1/20 0.37

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
SCHEMBL91404 0.87 BRAF (0.47) BRAF
SCHEMBL84430 0.87 ACACB (0.39) ACACBBRAF
SCHEMBL91329 0.86 BRAF (0.41) BRAF
SCHEMBL91403 0.85 ACACB (0.40) ACACBBRAFFASN
SCHEMBL91477 0.82 ACACB (0.51) ACACBFASN
SCHEMBL91483 0.80 FASN (0.42) ACACBMAPTMAPK1FASN
SCHEMBL91492 0.79 ACACB (0.40) ACACBBRAFFASN
SCHEMBL91491 0.79 SYK (0.41) ACACBBRAFKDM4EALDH1A1TSHR
SCHEMBL15185738 0.78 ESR1 (0.41) ACACBBRAFMAPTFASN
SCHEMBL91405 0.75 HRH4 (0.55) ACACBALDH1A1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 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-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS ACACB 1921/4885BRAF 1/4885KDM4E 3041/4885

“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.