SCHEMBL3715065

SCHEMBL3715065

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.42
CDK2 P24941 2/20 0.42
AURKA O14965 2/20 0.42
JAK2 O60674 2/20 0.42
MAP4K4 O95819 2/20 0.42
IGF1R P08069 2/20 0.42
FGFR1 P11362 2/20 0.42
FLT1 P17948 2/20 0.42
KDR P35968 2/20 0.42
CLK2 P49760 2/20 0.42
JAK3 P52333 2/20 0.42
LIMK1 P53667 2/20 0.42
CDK5 Q00535 2/20 0.42
MAP4K2 Q12851 2/20 0.42
NTRK2 Q16620 2/20 0.42
AURKB Q96GD4 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42
PLK4 O00444 1/20 0.42
ROCK2 O75116 1/20 0.42
PRKD3 O94806 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
SCHEMBL3505144 0.86 DYRK1A (0.42) DYRK1ACDK2AURKAJAK2MAP4K4
SCHEMBL3715063 0.84 AURKA (0.39) DYRK1ACDK2AURKAJAK2MAP4K4
SCHEMBL10260194 0.79 DYRK1A (0.40) DYRK1ACDK2AURKAJAK2MAP4K4
SCHEMBL859210 0.78 PRKD3 (0.49) DYRK1ACDK2AURKAJAK2MAP4K4
SCHEMBL298761 0.77 CYP2C9 (0.42) AURKAMAP4K4FGFR1FLT1KDR
SCHEMBL1358648 0.76 ITK (0.46) DYRK1ACDK2AURKAJAK2MAP4K4
SCHEMBL3505142 0.76 BRAF (0.39) DYRK1ACDK2AURKAJAK2MAP4K4
SCHEMBL8247887 0.75 DYRK1A (0.40) DYRK1ACDK2AURKAJAK2MAP4K4
SCHEMBL15102935 0.75 BRD4 (0.47) DYRK1ACDK2AURKAJAK2MAP4K4
SCHEMBL3705101 0.74 BRAF (0.46) DYRK1ACDK2AURKAJAK2MAP4K4

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 DYRK1A 673/4885CDK2 60/4885AURKA 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.