SCHEMBL296823

SCHEMBL296823

Cn1cc(-c2cnc3[nH]cc(C(=O)c4cc(NS(=O)(=O)c5ccc(F)cc5)ccc4F)c3c2)cn1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.49
PAK1 Q13153 3/20 0.48
ALK Q9UM73 5/20 0.47
CYP2C19 P33261 6/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2C9 P11712 3/20 0.46
CLK1 P49759 1/20 0.45
DYRK1A Q13627 1/20 0.45
BRAF P15056 2/20 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
SCHEMBL297209 0.92 CYP3A4 (0.51) PIK3CAPAK1ALKCYP2C19CYP3A4
SCHEMBL298700 0.92 CYP3A4 (0.54) PIK3CAPAK1ALKCYP2C19CYP3A4
SCHEMBL10283684 0.89 CYP3A4 (0.51) PIK3CAPAK1ALKCYP2C19CYP3A4
SCHEMBL298709 0.89 PAK1 (0.48) PIK3CAPAK1ALKCYP2C19CYP3A4
SCHEMBL299292 0.89 CYP3A4 (0.50) PIK3CAPAK1ALKCYP2C19CYP3A4
SCHEMBL298470 0.88 PIK3CA (0.50) PIK3CAPAK1ALKCYP2C19CYP3A4
SCHEMBL297485 0.87 ALK (0.49) PIK3CAPAK1ALKCYP2C19CYP3A4
SCHEMBL297940 0.86 PAK1 (0.53) PAK1ALKCYP2C19BRAF
SCHEMBL298322 0.85 BRAF (0.62) CYP2C19CYP3A4CYP2C9BRAF
SCHEMBL298752 0.85 PAK1 (0.44) PIK3CAPAK1ALKCYP2C19CYP3A4

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
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 PIK3CA 277/4885PAK1 290/4885ALK 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.