SCHEMBL5009701

SCHEMBL5009701

Cc1ccc(NC(=O)c2cccc(C3(C#N)CCC3)c2)cc1NC(=O)c1ccc2nccnc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 7/20 0.61
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
HSF1 Q00613 3/20 0.49
CSF1R P07333 1/20 0.47
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
ALDH1A1 P00352 4/20 0.46
TP53 P04637 3/20 0.46
MAPT P10636 3/20 0.46
GAA P10253 1/20 0.46
KDM4E B2RXH2 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
HPGD P15428 2/20 0.45
NFKB1 P19838 1/20 0.45
CYP2C19 P33261 1/20 0.45
KLK7 P49862 1/20 0.45

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
SCHEMBL1697958 0.84 BRAF (0.48) BRAFHSF1CSF1RTP53MAPT
SCHEMBL1697948 0.81 HSF1 (0.44) BRAFHSF1CSF1RRAF1MAPK14
SCHEMBL5004904 0.78 BRAF (0.76) BRAFCYP2C9RAF1
SCHEMBL5007830 0.77 MAPK14 (0.72) BRAFMEN1KMT2AHSF1CSF1R
SCHEMBL5004469 0.77 BRAF (0.83) BRAFMEN1KMT2AHSF1CSF1R
SCHEMBL5000903 0.77 BRAF (0.70) BRAFMEN1KMT2AHSF1CSF1R
SCHEMBL5007906 0.76 BRAF (0.69) BRAFMEN1KMT2AHSF1CSF1R
SCHEMBL5009627 0.76 MAPK14 (0.69) MAPK14
SCHEMBL2193755 0.76 BRAF (0.53) BRAFMEN1KMT2ANPC1RAB9A
SCHEMBL2193789 0.76 BRAF (0.46) BRAFMEN1KMT2ANPC1RAB9A

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 1/4885MEN1 671/4885KMT2A 1967/4885

“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.