SCHEMBL3705098

SCHEMBL3705098

Cc1c(C(N)=O)cccc1C(=O)c1c[nH]c2ncc(Br)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.44
PLK4 O00444 2/20 0.42
AURKA O14965 2/20 0.42
ROCK2 O75116 2/20 0.42
PRKD3 O94806 2/20 0.42
INSR P06213 2/20 0.42
CDK1 P06493 2/20 0.42
FES P07332 2/20 0.42
ROS1 P08922 2/20 0.42
FGFR1 P11362 2/20 0.42
PHKG2 P15735 2/20 0.42
FER P16591 2/20 0.42
FLT1 P17948 2/20 0.42
CDK2 P24941 2/20 0.42
MARK3 P27448 2/20 0.42
FLT4 P35916 2/20 0.42
KDR P35968 2/20 0.42
FLT3 P36888 2/20 0.42
FRK P42685 2/20 0.42
SYK P43405 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
SCHEMBL3705101 0.88 BRAF (0.46) BRAFPLK4AURKAROCK2PRKD3
SCHEMBL417670 0.87 BRAF (0.45) BRAFPLK4AURKAROCK2PRKD3
SCHEMBL3506159 0.86 BRAF (0.51) BRAFPLK4AURKAROCK2PRKD3
SCHEMBL12028448 0.84 BRAF (0.43) BRAFPLK4AURKAROCK2PRKD3
SCHEMBL3707426 0.84 AXL (0.61) PLK4AURKAROCK2PRKD3INSR
SCHEMBL857096 0.83 PAK1 (0.53) BRAFPLK4AURKAROCK2PRKD3
SCHEMBL412033 0.82 AAK1 (0.43) BRAFPLK4AURKAROCK2PRKD3
SCHEMBL15882691 0.82 DYRK1A (0.48) BRAFPLK4AURKAROCK2PRKD3
SCHEMBL28046056 0.82 BRAF (0.53) BRAFPLK4AURKAROCK2PRKD3
SCHEMBL298097 0.81 CYP2C9 (0.45) BRAFPLK4AURKAROCK2PRKD3

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 2 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
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 BRAF 1/4885PLK4 178/4885AURKA 518/4885

“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.