SCHEMBL2240728

SCHEMBL2240728

CC(=O)Nc1cccc(-c2ccnc3c2cc(-c2ccc4cn[nH]c4c2)n3S(=O)(=O)c2ccc(C)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
AURKB Q96GD4 3/20 0.42
MAP4K4 O95819 2/20 0.42
PDGFRB P09619 2/20 0.42
PDGFRA P16234 2/20 0.42
CDK8 P49336 2/20 0.42
PRKX P51817 2/20 0.42
PRKD3 O94806 1/20 0.42
NTRK1 P04629 1/20 0.42
PRKACA P17612 1/20 0.42
LTK P29376 1/20 0.42
CSNK1A1 P48729 1/20 0.42
CLK2 P49760 1/20 0.42
NTRK3 Q16288 1/20 0.42
NTRK2 Q16620 1/20 0.42
TAOK1 Q7L7X3 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40

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
SCHEMBL2237493 0.85 CCNT1 (0.42) AURKBNTRK1CCNT1CDK9FYN
SCHEMBL2241287 0.79 KDM5A (0.38) MKNK1CCNKCDK12FGFR1USP2
SCHEMBL1837573 0.75 CCNT1 (0.53) MKNK1MKNK2AURKBMAP4K4PDGFRB
SCHEMBL4325988 0.73 FYN (0.44) MAP4K4FYNPIK3C3PLK4SYK
SCHEMBL4319454 0.69 AURKA (0.56) AURKBAURKAROCK1MET
SCHEMBL4308851 0.69 AURKA (0.66) AURKBAURKAROCK1MET
SCHEMBL4310160 0.68 AURKA (0.54) AURKBAURKAROCK1MET
SCHEMBL4314130 0.67 AURKA (0.61) AURKBAURKAROCK1MET
SCHEMBL2239926 0.66 IKBKB (0.48) CDK8
SCHEMBL4311792 0.66 MEN1 (0.46) LMNAPIK3C3RXFP1

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-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 US disclosed
US-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 US 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-20110201599-A1 CDK Modulators CDK3, CDK1, CDKL1 MKNK1 423/4885MKNK2 496/4885AURKB 58/4885

“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.