SCHEMBL297940

SCHEMBL297940

Cn1cc(-c2cnc3[nH]cc(C(=O)c4cc(NS(=O)(=O)C5CC5)ccc4F)c3c2)cn1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 12/20 0.53
CYP2C19 P33261 2/20 0.47
ALK Q9UM73 2/20 0.46
PAK4 O96013 1/20 0.45
BRAF P15056 4/20 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
SCHEMBL298226 0.96 PAK1 (0.51) PAK1CYP2C19ALKPAK4BRAF
SCHEMBL296823 0.86 PIK3CA (0.49) PAK1CYP2C19ALKBRAF
SCHEMBL298322 0.86 BRAF (0.62) CYP2C19BRAF
SCHEMBL298434 0.86 PAK1 (0.56) PAK1ALKPAK4
SCHEMBL298443 0.85 CYP2C19 (0.62) CYP2C19BRAF
SCHEMBL298709 0.85 PAK1 (0.48) PAK1CYP2C19ALKPAK4BRAF
SCHEMBL298112 0.85 BRAF (0.56) CYP2C19BRAF
SCHEMBL298700 0.85 CYP3A4 (0.54) PAK1CYP2C19ALKBRAF
SCHEMBL10283684 0.83 CYP3A4 (0.51) PAK1CYP2C19ALKBRAF
SCHEMBL297209 0.83 CYP3A4 (0.51) PAK1CYP2C19ALKBRAF

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 290/4885CYP2C19 2730/4885ALK 679/4885

“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.