SCHEMBL3709080

SCHEMBL3709080

NC(=O)c1ccc(F)c(C(O)c2c[nH]c3nccc(Cl)c23)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.45
CDK2 P24941 2/20 0.45
CDK9 P50750 2/20 0.45
CDK5 Q00535 2/20 0.45
RPS6KB1 P23443 2/20 0.45
AKT1 P31749 2/20 0.45
CDC7 O00311 1/20 0.45
PLK4 O00444 1/20 0.45
CHEK1 O14757 1/20 0.45
MAPK13 O15264 1/20 0.45
PDPK1 O15530 1/20 0.45
DAPK3 O43293 1/20 0.45
DYRK3 O43781 1/20 0.45
ROCK2 O75116 1/20 0.45
PRKD3 O94806 1/20 0.45
MAP4K4 O95819 1/20 0.45
ABL1 P00519 1/20 0.45
PRKCG P05129 1/20 0.45
CDK1 P06493 1/20 0.45
ROS1 P08922 1/20 0.45

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
SCHEMBL3709081 0.84 CDK2 (0.43) LRRK2CDK2CDK9CDK5RPS6KB1
SCHEMBL4324606 0.82 CYP2C9 (0.43) CYP3A4CYP2C9BTK
SCHEMBL3701115 0.81 CAMKK2 (0.43) LRRK2RPS6KB1AXLMAP2K1
SCHEMBL4318902 0.79 CYP2C9 (0.45) CYP3A4CYP2C9BTK
SCHEMBL2888458 0.77 CYP3A4 (0.60) LRRK2CDK2CDK9CDK5RPS6KB1
SCHEMBL3700070 0.76 RPS6KB1 (0.39) RPS6KB1AKT1
SCHEMBL24672390 0.76 CDK8 (0.62) LRRK2CDK2CDK9CDK5RPS6KB1
SCHEMBL30668776 0.76 CDK8 (0.62) LRRK2CDK2CDK9CDK5RPS6KB1
SCHEMBL3505863 0.75 BRAF (0.44) CDK2CDK9AXLKDRMAP2K2
SCHEMBL297614 0.75 BRAF (0.47) PLK4MAP4K4ABL1KDRMAP2K2

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 LRRK2 1249/4885CDK2 60/4885CDK9 200/4885

“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.