SCHEMBL298148

SCHEMBL298148

Cn1cc(-c2cnc3[nH]cc(C(=O)c4cccc(NS(=O)(=O)c5ccc(Cl)cc5)c4)c3c2)cn1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.57
FGFR1 P11362 6/20 0.57
KDR P35968 6/20 0.57
PAK1 Q13153 7/20 0.54
PIK3CA P42336 1/20 0.48
ALK Q9UM73 2/20 0.47
BRD4 O60885 1/20 0.46
BRAF P15056 2/20 0.45
PAK4 O96013 1/20 0.44
TRIM24 O15164 1/20 0.43

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
SCHEMBL3710491 0.93 PAK1 (0.57) EGFRFGFR1KDRPAK1PIK3CA
SCHEMBL298470 0.92 PIK3CA (0.50) EGFRFGFR1KDRPAK1PIK3CA
SCHEMBL297367 0.90 ALK (0.48) EGFRFGFR1KDRPAK1PIK3CA
SCHEMBL297385 0.89 CYP3A4 (0.51) EGFRFGFR1KDRPAK1PIK3CA
SCHEMBL298351 0.88 PIK3CA (0.49) EGFRFGFR1KDRPAK1PIK3CA
SCHEMBL299321 0.88 PAK1 (0.45) EGFRFGFR1KDRPAK1PIK3CA
SCHEMBL298341 0.86 ALK (0.51) EGFRFGFR1KDRPAK1PIK3CA
SCHEMBL298085 0.84 CYP19A1 (0.49) EGFRFGFR1KDRPAK1PIK3CA
SCHEMBL298434 0.84 PAK1 (0.56) PAK1ALKPAK4
SCHEMBL298196 0.84 PAK1 (0.44) EGFRFGFR1KDRPAK1PIK3CA

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 5 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
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 EGFR 195/4885FGFR1 129/4885KDR 1406/4885

“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.