SCHEMBL3697175

SCHEMBL3697175

NC(=O)c1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 9/20 0.49
PAK1 Q13153 3/20 0.49
KDR P35968 3/20 0.49
NEK2 P51955 3/20 0.49
PLK4 O00444 2/20 0.49
AURKA O14965 2/20 0.49
ABL1 P00519 2/20 0.49
LCK P06239 2/20 0.49
FYN P06241 2/20 0.49
FES P07332 2/20 0.49
CSF1R P07333 2/20 0.49
LYN P07948 2/20 0.49
FGFR1 P11362 2/20 0.49
FLT1 P17948 2/20 0.49
FLT3 P36888 2/20 0.49
FRK P42685 2/20 0.49
CLK2 P49760 2/20 0.49
BLK P51451 2/20 0.49
LIMK1 P53667 2/20 0.49
CSNK1G2 P78368 2/20 0.49

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
SCHEMBL3504120 0.88 BRAF (0.54) BRAFPAK1KDRNEK2PLK4
SCHEMBL3505473 0.87 BRAF (0.52) BRAFPAK1KDRNEK2PLK4
SCHEMBL3707415 0.87 BRAF (0.52) BRAFPAK1KDRNEK2PLK4
SCHEMBL299000 0.86 BRAF (0.51) BRAFPAK1KDRNEK2PLK4
SCHEMBL3700264 0.84 AAK1 (0.45) BRAFPAK1KDRNEK2PLK4
SCHEMBL3702948 0.83 NEK2 (0.50) BRAFPAK1KDRNEK2PLK4
SCHEMBL4570629 0.83 BRAF (0.53) BRAFPAK1KDRNEK2PLK4
SCHEMBL3711232 0.82 CAMKK2 (0.54) BRAFKDRNEK2PLK4AURKA
SCHEMBL27795046 0.82 BRAF (0.54) BRAFPAK1KDRNEK2PLK4
SCHEMBL2357072 0.81 CYP2C9 (0.49) BRAFPAK1KDRNEK2PLK4

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
EP-2672967-B1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-10-17 EP disclosed
US-9624213-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-04-18 US disclosed
EP-2672967-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Plexxikon, Inc. (US) 2013-12-18 EP disclosed
WO-2012109075-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2012-08-16 WO disclosed
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 1/4885PAK1 290/4885KDR 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.