SCHEMBL298745

SCHEMBL298745

CS(=O)(=O)c1cccc(-c2cnc3[nH]cc(C(=O)c4cccc(NS(=O)(=O)C5CCCCC5)c4)c3c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMKK2 Q96RR4 2/20 0.52
PAK1 Q13153 3/20 0.45
AAK1 Q2M2I8 1/20 0.44
TNIK Q9UKE5 4/20 0.44
RIPK1 Q13546 1/20 0.43
PIK3CA P42336 2/20 0.42
BTK Q06187 2/20 0.42
PLK4 O00444 2/20 0.41
MAP2K4 P45985 1/20 0.41
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 1/20 0.40
CDC7 O00311 1/20 0.40
CHEK1 O14757 1/20 0.40
AURKA O14965 1/20 0.40
MAPK13 O15264 1/20 0.40
PDPK1 O15530 1/20 0.40
DYRK3 O43781 1/20 0.40
ROCK2 O75116 1/20 0.40
RPS6KA5 O75582 1/20 0.40
PRKD3 O94806 1/20 0.40

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
SCHEMBL298881 0.88 CAMKK2 (0.48) CAMKK2PAK1RIPK1PIK3CAPLK4
SCHEMBL298205 0.87 CAMKK2 (0.49) CAMKK2PAK1RIPK1PIK3CAPLK4
SCHEMBL299488 0.85 PAK1 (0.54) PAK1AAK1TNIKPAK4
SCHEMBL298554 0.85 BTK (0.45) PAK1AAK1BTKMAP2K4CYP2C19
SCHEMBL296762 0.84 PAK1 (0.42) PAK1AAK1TNIKRIPK1PLK4
SCHEMBL297909 0.84 BTK (0.45) PAK1AAK1BTKMAP2K4CYP2C19
SCHEMBL298714 0.83 PAK1 (0.43) PAK1AAK1TNIKRIPK1PLK4
SCHEMBL298747 0.83 PAK1 (0.47) PAK1AAK1TNIKRIPK1BTK
SCHEMBL298501 0.83 MAP2K4 (0.46) PAK1AAK1BTKMAP2K4CYP2C9
SCHEMBL299341 0.82 AAK1 (0.43) PAK1AAK1BTKMAP2K4DYRK3

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 CAMKK2 497/4885PAK1 290/4885AAK1 247/4885

“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.