SCHEMBL3710491

SCHEMBL3710491

Cn1cc(-c2cnc3[nH]cc(C(=O)c4cccc(NS(=O)(=O)c5cccc(Cl)c5)c4)c3c2)cn1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 8/20 0.57
ALK Q9UM73 2/20 0.49
EGFR P00533 2/20 0.48
FGFR1 P11362 2/20 0.48
KDR P35968 2/20 0.48
PIK3CA P42336 2/20 0.47
CPT2 P23786 1/20 0.44
CPT1A P50416 1/20 0.44
CPT1B Q92523 1/20 0.44
PAK4 O96013 1/20 0.43
PIK3CD O00329 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAP3K20 Q9NYL2 1/20 0.43
TRIM24 O15164 1/20 0.43
PDPK1 O15530 2/20 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
SCHEMBL298148 0.93 EGFR (0.57) PAK1ALKEGFRFGFR1KDR
SCHEMBL297385 0.91 CYP3A4 (0.51) PAK1ALKEGFRFGFR1KDR
SCHEMBL298709 0.89 PAK1 (0.48) PAK1ALKPIK3CAPAK4CYP3A4
SCHEMBL298351 0.89 PIK3CA (0.49) PAK1ALKEGFRFGFR1KDR
SCHEMBL298341 0.88 ALK (0.51) PAK1ALKEGFRFGFR1KDR
SCHEMBL298470 0.88 PIK3CA (0.50) PAK1ALKEGFRFGFR1KDR
SCHEMBL298196 0.86 PAK1 (0.44) PAK1ALKEGFRFGFR1KDR
SCHEMBL297367 0.86 ALK (0.48) PAK1ALKEGFRFGFR1KDR
SCHEMBL298434 0.85 PAK1 (0.56) PAK1ALKPAK4
SCHEMBL3709466 0.85 PGR (0.50) PAK1FGFR1KDRPIK3CACPT2

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
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 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-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS BRAF, RAF1, ARAF PAK1 290/4885ALK 679/4885EGFR 195/4885

“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.