SCHEMBL84422

SCHEMBL84422

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

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.39
ESR1 P03372 1/20 0.38
KCNH2 Q12809 1/20 0.38
BRAF P15056 14/20 0.37
HRH4 Q9H3N8 3/20 0.35
HRH3 Q9Y5N1 2/20 0.35

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
SCHEMBL15185738 0.86 ESR1 (0.41) ACACBESR1KCNH2BRAFHRH4
SCHEMBL84101 0.84 ACACB (0.50) ACACBHRH4
SCHEMBL84608 0.82 ACACB (0.39) ACACBBRAFHRH4
SCHEMBL84098 0.82 BRAF (0.46) BRAF
SCHEMBL84432 0.80 ACACB (0.40) ACACBBRAF
SCHEMBL84102 0.80 BRAF (0.39) BRAF
SCHEMBL84383 0.79 SYK (0.40) ACACBBRAF
SCHEMBL84410 0.79 ACACB (0.40) ACACBBRAF
SCHEMBL84430 0.78 ACACB (0.39) ACACBBRAF
SCHEMBL84443 0.75 HRH4 (0.44) BRAFHRH4

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 4 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-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
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 1921/4885ESR1 3153/4885KCNH2 4723/4885

“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.