SCHEMBL5000865

SCHEMBL5000865

CC(C)(C#N)c1cccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
MCL1 Q07820 1/20 0.54
BRAF P15056 14/20 0.53
CYP2C9 P11712 4/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
MAPK1 P28482 1/20 0.52
RAB9A P51151 1/20 0.52
LMNA P02545 3/20 0.51
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL29877332 1.00 MAPT (0.54) MAPTMCL1BRAFCYP2C9MEN1
SCHEMBL1697857 0.88 MAPT (0.64) MAPTBRAFCYP2C9MEN1KMT2A
SCHEMBL29877649 0.88 MAPT (0.64) MAPTBRAFCYP2C9MEN1KMT2A
SCHEMBL1697928 0.88 BRAF (0.52) MAPTBRAFCYP2C9MEN1KMT2A
SCHEMBL1698163 0.85 BRAF (0.50) BRAFCYP2C9KMT2AMAPK1RAB9A
SCHEMBL811365 0.85 MAPT (0.60) MAPTMCL1MEN1KMT2AMAPK1
SCHEMBL5004766 0.83 BRAF (0.59) BRAFCYP2C9
SCHEMBL2858498 0.83 MEN1 (0.67) MAPTBRAFCYP2C9MEN1KMT2A
SCHEMBL1455951 0.80 MAPT (0.63) MAPTMCL1MEN1KMT2AMAPK1
SCHEMBL1454512 0.79 MAPT (0.59) MAPTMCL1MEN1KMT2ARAB9A

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 MAPT 4559/4885MCL1 77/4885BRAF 1/4885

“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.