SCHEMBL4469465

SCHEMBL4469465

COc1c(NC(=O)c2ccc(C)c(-n3cc(C(=O)O)cn3)c2)cc(C2(C)CC2)cc1NS(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRAF P15056 16/20 0.40
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
LYN P07948 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK14 Q16539 1/20 0.37
EGLN1 Q9GZT9 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
SCHEMBL5177542 0.95 BRAF (0.40) BRAFLYNMAPK9MAPK14
Pivalamide SCHEMBL5177533 0.95 BRAF (0.40) BRAFLYNMAPK9MAPK14
SCHEMBL5177538 0.89 BRAF (0.40) BRAFLYNMAPK9MAPK14
SCHEMBL4481539 0.87 BRAF (0.39) BRAFMAPK14
SCHEMBL4477561 0.86 BRAF (0.52) BRAFMAPK14
SCHEMBL4471665 0.85 BRAF (0.50) BRAFABL1BCR
SCHEMBL4503725 0.83 BRAF (0.39) BRAFMAPK14
SCHEMBL4468379 0.83 BRAF (0.40) BRAF
SCHEMBL5175779 0.82 BRAF (0.47) BRAFABL1BCR
SCHEMBL303585 0.82 CDK9 (0.36) BRAFABL1BCRMAPK14

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 1997/4885BCR 1202/4885

“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.