SCHEMBL84417

SCHEMBL84417

CC(C)c1ccnc(NC[C@@H](C)NS(C)(=O)=O)n1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
HRH4 Q9H3N8 4/20 0.39
BRAF P15056 11/20 0.36
SYK P43405 2/20 0.34
MAPK1 P28482 1/20 0.34
NR3C1 P04150 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
SCHEMBL91476 0.84 MAPK1 (0.49) ALDH1A1HRH4MAPK1NR3C1
SCHEMBL84377 0.79 KDM4D (0.45) ALDH1A1HRH4MAPK1
SCHEMBL84439 0.79 HRH4 (0.54) HRH4
SCHEMBL84101 0.78 ACACB (0.50) HRH4
SCHEMBL21918879 0.77 MAPK1 (0.46) ALDH1A1MAPK1
SCHEMBL84443 0.76 HRH4 (0.44) ALDH1A1HRH4BRAF
SCHEMBL84098 0.76 BRAF (0.46) BRAF
SCHEMBL84608 0.76 ACACB (0.39) HRH4BRAF
SCHEMBL84422 0.74 ACACB (0.39) HRH4BRAF
SCHEMBL84432 0.74 ACACB (0.40) BRAF

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 ALDH1A1 3257/4885HRH4 2437/4885BRAF 1/4885

“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.