SCHEMBL297098

SCHEMBL297098

O=C(c1cccc(NS(=O)(=O)C2CC2)c1)c1c[nH]c2ncc(Cl)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 4/20 0.49
BRAF P15056 4/20 0.46
BTK Q06187 2/20 0.45
STK16 O75716 2/20 0.44
MAP2K4 P45985 2/20 0.44
BMPR1B O00238 1/20 0.44
PLK4 O00444 1/20 0.44
PIR O00625 1/20 0.44
AURKA O14965 1/20 0.44
DCLK1 O15075 1/20 0.44
EPHB6 O15197 1/20 0.44
RIPK2 O43353 1/20 0.44
OXSR1 O95747 1/20 0.44
MAP4K4 O95819 1/20 0.44
ABL1 P00519 1/20 0.44
RAF1 P04049 1/20 0.44
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
FES P07332 1/20 0.44
CSF1R P07333 1/20 0.44

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
SCHEMBL298125 0.96 PAK1 (0.48) PAK1BRAFBTKSTK16MAP2K4
SCHEMBL298747 0.95 PAK1 (0.47) PAK1BRAFBTKSTK16MAP2K4
SCHEMBL297909 0.85 BTK (0.45) PAK1BRAFBTKSTK16MAP2K4
SCHEMBL299062 0.85 MAP2K4 (0.44) PAK1BTKSTK16MAP2K4KIT
SCHEMBL3709466 0.84 PGR (0.50) PAK1BRAFBTKSTK16MAP2K4
SCHEMBL298667 0.84 BRAF (0.52) PAK1BRAFSTK16MAP2K4BMPR1B
SCHEMBL298501 0.84 MAP2K4 (0.46) PAK1BTKSTK16MAP2K4KIT
SCHEMBL298554 0.84 BTK (0.45) PAK1BRAFBTKSTK16MAP2K4
SCHEMBL298085 0.83 CYP19A1 (0.49) PAK1BRAFBTKSTK16MAP2K4
SCHEMBL298878 0.83 BRAF (0.57) PAK1BRAFBTKSTK16MAP2K4

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 4 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
WO-2010129570-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. (US) 2010-11-11 WO 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 290/4885BRAF 1/4885BTK 515/4885

“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.