SCHEMBL298351

SCHEMBL298351

Cn1cc(-c2cnc3[nH]cc(C(=O)c4cccc(NS(=O)(=O)c5cccnc5)c4)c3c2)cn1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.49
PAK1 Q13153 6/20 0.48
PDPK1 O15530 1/20 0.48
ALK Q9UM73 2/20 0.46
BRD4 O60885 1/20 0.46
EGFR P00533 2/20 0.46
FGFR1 P11362 2/20 0.46
KDR P35968 2/20 0.46
CYP3A4 P08684 1/20 0.44
NEK1 Q96PY6 1/20 0.42
BTK Q06187 1/20 0.42
TNIK Q9UKE5 1/20 0.42
AAK1 Q2M2I8 1/20 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
SCHEMBL297385 0.90 CYP3A4 (0.51) PIK3CAPAK1PDPK1ALKEGFR
SCHEMBL3710491 0.89 PAK1 (0.57) PIK3CAPAK1PDPK1ALKEGFR
SCHEMBL298148 0.88 EGFR (0.57) PIK3CAPAK1ALKBRD4EGFR
SCHEMBL298470 0.88 PIK3CA (0.50) PIK3CAPAK1ALKEGFRFGFR1
SCHEMBL299292 0.88 CYP3A4 (0.50) PIK3CAPAK1PDPK1ALKCYP3A4
SCHEMBL298341 0.87 ALK (0.51) PIK3CAPAK1PDPK1ALKBRD4
SCHEMBL298660 0.86 PIK3CA (0.57) PIK3CABRD4CYP3A4NEK1TNIK
SCHEMBL298592 0.86 CAMKK2 (0.52) PIK3CABRD4CYP3A4NEK1TNIK
SCHEMBL297367 0.86 ALK (0.48) PIK3CAPAK1PDPK1ALKBRD4
SCHEMBL299448 0.85 PIK3CA (0.52) PIK3CAPDPK1BRD4EGFRFGFR1

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
EP-2427433-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS Plexxikon, Inc. (US) 2012-03-14 EP 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 290/4885PDPK1 415/4885

“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.