SCHEMBL5004444

SCHEMBL5004444

Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1NC(=O)c1ccc2nc(NCCCN3CCCCC3)cnc2c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRAF P15056 18/20 0.52
RAF1 P04049 1/20 0.51
YES1 P07947 1/20 0.51
LCK P06239 2/20 0.49
INSR P06213 1/20 0.49
LYN P07948 1/20 0.49
HCK P08631 1/20 0.49
SRC P12931 1/20 0.49
KDR P35968 1/20 0.49
CYP2C9 P11712 1/20 0.48
MAPK14 Q16539 1/20 0.47

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
SCHEMBL5000899 0.80 BRAF (0.59) BRAFRAF1YES1CYP2C9
SCHEMBL1698866 0.79 BRAF (0.52) BRAFRAF1YES1LCKINSR
Hydrochloric Acid SCHEMBL1697917 0.78 BRAF (0.52) BRAFRAF1YES1LCKINSR
SCHEMBL5004904 0.78 BRAF (0.76) BRAFRAF1YES1CYP2C9
SCHEMBL4931487 0.77 BRAF (0.59) BRAFRAF1YES1LCKSRC
SCHEMBL3935638 0.77 BRAF (0.59) BRAFLCKCYP2C9MAPK14
SCHEMBL1698046 0.76 BRAF (0.49) BRAFRAF1YES1LCKINSR
SCHEMBL5005096 0.76 BRAF (0.52) BRAFRAF1YES1SRC
SCHEMBL1698160 0.75 BRAF (0.52) BRAFRAF1YES1LCKLYN
SCHEMBL1697963 0.74 BRAF (0.53) BRAFRAF1YES1CYP2C9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207616-A1 Quinoxalines as B Baf Inhhibitors ASTRAZENECA AB (SE) 2008-08-28 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-20080207616-A1 Quinoxalines as B Baf Inhhibitors BRAF, NRAS, ARAF BRAF 1/4885RAF1 4/4885YES1 2346/4885

“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.