SCHEMBL3706478

SCHEMBL3706478

NC(=O)c1ccc(F)c(C(O)c2c[nH]c3ncc(C(F)(F)F)cc23)c1F

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CAMKK2 Q96RR4 2/20 0.37
RIPK1 Q13546 4/20 0.37
BRD4 O60885 2/20 0.35
BRAF P15056 2/20 0.35
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
CLK1 P49759 1/20 0.34
DYRK1A Q13627 1/20 0.34
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
AURKA O14965 1/20 0.33
RPS6KB1 P23443 1/20 0.33
AURKB Q96GD4 1/20 0.33
AXL P30530 1/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL2890696 0.86 BRAF (0.43) CAMKK2RIPK1BRD4BRAFJAK2
SCHEMBL3505623 0.86 BRAF (0.44) CAMKK2RIPK1BRD4BRAFCLK1
SCHEMBL3706480 0.85 BRD4 (0.37) RIPK1BRD4BRAFCLK1DYRK1A
SCHEMBL3504298 0.84 BRAF (0.35) CAMKK2RIPK1BRD4BRAFJAK2
SCHEMBL3707346 0.83 AXL (0.52) CAMKK2RIPK1JAK3DYRK1AAURKA
SCHEMBL2898883 0.83 CYP3A4 (0.44) CAMKK2JAK2JAK3AXL
SCHEMBL3505504 0.83 MTNR1A (0.40) CAMKK2CLK1DYRK1AAXL
SCHEMBL3505863 0.82 BRAF (0.44) CAMKK2BRAFCLK1DYRK1AAXL
SCHEMBL3508004 0.82 BRAF (0.33) CAMKK2RIPK1BRD4BRAFJAK2
SCHEMBL3700070 0.82 RPS6KB1 (0.39) RPS6KB1

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 CAMKK2 497/4885RIPK1 637/4885BRD4 2367/4885

“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.