SCHEMBL298226

SCHEMBL298226

Cn1cc(-c2cnc3[nH]cc(C(=O)c4cc(NS(=O)(=O)C5CCCCC5)ccc4F)c3c2)cn1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 12/20 0.51
KAT5 Q92993 1/20 0.44
CYP2C19 P33261 2/20 0.44
ALK Q9UM73 1/20 0.44
PAK4 O96013 1/20 0.43
BRAF P15056 3/20 0.43
CYP3A4 P08684 1/20 0.42

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
SCHEMBL297940 0.96 PAK1 (0.53) PAK1CYP2C19ALKPAK4BRAF
SCHEMBL299488 0.86 PAK1 (0.54) PAK1ALKPAK4
SCHEMBL298320 0.85 CYP2C9 (0.48) PAK1CYP2C19BRAFCYP3A4
SCHEMBL298370 0.85 CYP2C19 (0.49) PAK1CYP2C19BRAFCYP3A4
SCHEMBL298881 0.84 CAMKK2 (0.48) PAK1CYP2C19BRAFCYP3A4
SCHEMBL298879 0.84 CYP2C9 (0.49) PAK1CYP2C19BRAFCYP3A4
SCHEMBL298856 0.84 CYP2C19 (0.49) PAK1CYP2C19BRAFCYP3A4
SCHEMBL298322 0.84 BRAF (0.62) CYP2C19BRAFCYP3A4
SCHEMBL296823 0.84 PIK3CA (0.49) PAK1CYP2C19ALKBRAFCYP3A4
SCHEMBL10246345 0.84 CYP2C19 (0.43) PAK1CYP2C19BRAFCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 US disclosed
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 US disclosed
EP-2427433-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS Plexxikon, Inc. (US) 2012-03-14 EP 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-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS BRAF, RAF1, ARAF PAK1 290/4885KAT5 1792/4885CYP2C19 2730/4885

“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.