SCHEMBL5000984

SCHEMBL5000984

Cn1nccc1C(C)(C)C#N

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.32
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
USP7 Q93009 1/20 0.31
MTOR P42345 1/20 0.31
CYP19A1 P11511 1/20 0.31
UGT1A4 P22310 1/20 0.31
PDE4D Q08499 1/20 0.31
TP53 P04637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL19857578 0.72 COMT (0.35) COMTKMT2ASMN1; SMN2L3MBTL1
SCHEMBL15372303 0.72 OXTR (0.36) COMT
SCHEMBL22071582 0.72 COMT (0.35) COMTSMN1; SMN2
SCHEMBL19069346 0.68 CYP19A1 (0.33) CYP19A1
SCHEMBL18935615 0.67 CYP1A2 (0.36) COMTCYP19A1
SCHEMBL16446020 0.67
SCHEMBL4196966 0.67 SMN1; SMN2 (0.33) SMN1; SMN2CYP19A1UGT1A4PDE4D
SCHEMBL1997702 0.66
SCHEMBL17473335 0.65 MAP3K12 (0.31)
SCHEMBL24050966 0.64 OXTR (0.33) COMT

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 COMT 3866/4885KMT2A 1967/4885SMN1; SMN2 4408/4885

“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.