SCHEMBL4469722

SCHEMBL4469722

COc1c(NC(C)=O)cc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(-n2cnc(C(=O)O)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRAF P15056 14/20 0.42
ABL1 P00519 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.37
P4HTM Q9NXG6 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
Pivalamide SCHEMBL5177397 0.96 BRAF (0.40) BRAFABL1NR1H4
SCHEMBL5177405 0.95 BRAF (0.39) BRAFLMNA
SCHEMBL4473791 0.90 BRAF (0.40) BRAFABL1NR1H4MEN1KMT2A
SCHEMBL4479405 0.90 BRAF (0.54) BRAF
SCHEMBL4463798 0.89 BRAF (0.40) BRAFLMNA
SCHEMBL4476621 0.88 MAPK14 (0.42) BRAF
Pivalamide SCHEMBL5177844 0.88 BRAF (0.38) BRAFABL1NR1H4MEN1KMT2A
SCHEMBL5177857 0.87 BRAF (0.38) BRAFABL1NR1H4LMNA
Pivalamide SCHEMBL5176151 0.85 MAPK14 (0.40) BRAF
SCHEMBL5176158 0.84 MAPK14 (0.39) BRAFLMNA

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-7485657-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-02-03 US claimed
US-20050256113-A1 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-11-17 US claimed
US-7485657-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-02-03 US disclosed
US-20050256113-A1 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-11-17 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-20050256113-A1 Anti-cytokine heterocyclic compounds TNF, IL6, IL2 BRAF 4079/4885ABL1 1997/4885NR1H4 408/4885

“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.