SCHEMBL84419

SCHEMBL84419

CO[C@@H](C)C(=O)NC[C@@H](C)Nc1nccc(C(C)C)n1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.34
BRAF P15056 1/20 0.34
ACACB O00763 5/20 0.34
IDH1 O75874 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPK1 P28482 1/20 0.32
MAPK8 P45983 1/20 0.31
CFD P00746 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 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
SCHEMBL91471 0.86 MAPK14 (0.39) MAPK14L3MBTL1MAPTKMT2A
SCHEMBL84421 0.83 SMN1; SMN2 (0.37) MAPK14BRAFACACBMAPK1KMT2A
SCHEMBL84410 0.81 ACACB (0.40) BRAFACACB
SCHEMBL14004969 0.74 MAPK14 (0.44) MAPK14ACACBIDH1MAPK8KMT2A
SCHEMBL84017 0.72 ALDH1A1 (0.42) MAPK14L3MBTL1KMT2A
SCHEMBL84098 0.71 BRAF (0.46) BRAF
SCHEMBL91474 0.69 MAPK14 (0.41) MAPK14L3MBTL1KMT2A
SCHEMBL84413 0.69 HRH4 (0.49) ACACBIDH1MAPK8KMT2A
SCHEMBL84383 0.68 SYK (0.40) BRAFACACB
SCHEMBL84101 0.68 ACACB (0.50) ACACB

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 MAPK14 484/4885BRAF 1/4885ACACB 1921/4885

“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.