SCHEMBL299448

SCHEMBL299448

NC(=O)c1cccc(-c2cnc3[nH]cc(C(=O)c4cccc(NS(=O)(=O)c5cccnc5)c4)c3c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.52
NTRK1 P04629 4/20 0.50
DYRK1A Q13627 3/20 0.50
CDC7 O00311 1/20 0.50
PLK4 O00444 1/20 0.50
CHEK1 O14757 1/20 0.50
AURKA O14965 1/20 0.50
MAPK13 O15264 1/20 0.50
PDPK1 O15530 1/20 0.50
DYRK3 O43781 1/20 0.50
ROCK2 O75116 1/20 0.50
RPS6KA5 O75582 1/20 0.50
PRKD3 O94806 1/20 0.50
PAK4 O96013 1/20 0.50
CHEK2 O96017 1/20 0.50
ABL1 P00519 1/20 0.50
EGFR P00533 1/20 0.50
INSR P06213 1/20 0.50
LCK P06239 1/20 0.50
FYN P06241 1/20 0.50

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
SCHEMBL298592 0.91 CAMKK2 (0.52) PIK3CANTRK1DYRK1APLK4PAK4
SCHEMBL298660 0.91 PIK3CA (0.57) PIK3CANTRK1CAMKK2BRD4NEK1
SCHEMBL3698939 0.86 PIK3CA (0.49) PIK3CANTRK1DYRK1ABRD4NEK1
SCHEMBL298351 0.85 PIK3CA (0.49) PIK3CAPDPK1EGFRFGFR1KDR
SCHEMBL299508 0.85 CYP3A4 (0.53) PIK3CADYRK1ANEK2BRD4CYP3A4
SCHEMBL298808 0.85 CYP3A4 (0.49) PIK3CANEK2BRD4CYP3A4MAP2K7
SCHEMBL297350 0.85 CYP3A4 (0.51) PIK3CAPLK4AURKAABL1LCK
SCHEMBL298357 0.85 CYP3A4 (0.52) PIK3CANEK2BRD4CYP3A4BTK
SCHEMBL3699180 0.84 DYRK1A (0.58) PIK3CANTRK1DYRK1ACDC7PLK4
SCHEMBL298568 0.83 GAA (0.49) PIK3CANTRK1AURKABRD4NEK1

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 6 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
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 277/4885NTRK1 1554/4885DYRK1A 673/4885

“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.