SCHEMBL5004872

SCHEMBL5004872

CCCc1cc(C(=O)Nc2ccc(C)c(NC(=O)c3ccc4nccnc4c3)c2)cc(C(C)(C)C#N)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 15/20 0.58
RAF1 P04049 1/20 0.47
YES1 P07947 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
CYP2C9 P11712 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
NFKB1 P19838 1/20 0.43
CYP2C19 P33261 1/20 0.43
KLK7 P49862 1/20 0.43
NFKB2 Q00653 1/20 0.43

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
SCHEMBL5001022 0.88 BRAF (0.64) BRAFRAF1YES1MEN1KMT2A
SCHEMBL5004825 0.86 BRAF (0.61) BRAFRAF1YES1MEN1KMT2A
SCHEMBL5007877 0.86 BRAF (0.61) BRAFRAF1YES1MEN1KMT2A
SCHEMBL5004904 0.85 BRAF (0.76) BRAFRAF1YES1CYP2C9
SCHEMBL5004561 0.84 BRAF (0.57) BRAFRAF1YES1MEN1KMT2A
SCHEMBL5005086 0.84 BRAF (0.56) BRAFRAF1YES1MEN1KMT2A
SCHEMBL5009705 0.80 BRAF (0.73) BRAFMEN1KMT2ARAB9ANPC1
SCHEMBL5005096 0.80 BRAF (0.52) BRAFRAF1YES1
SCHEMBL5004451 0.78 BRAF (0.50) BRAFRAF1YES1
SCHEMBL5007890 0.77 BRAF (0.71) 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 claimed

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.