Sugi Predict

Sugi Predict / Compounds / SCHEMBL13854

SCHEMBL13854

SCHEMBL13854

CC(C)=CCNCc1ccc(-c2c[nH]c(NC(=O)Nc3cc(F)c(F)cc3F)nc2=O)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.33
▸ PIM3 Q86V86 1/20 0.33
▸ KDR P35968 7/20 0.33
▸ ROCK2 O75116 3/20 0.33
▸ FLT3 P36888 3/20 0.33
▸ LCK P06239 2/20 0.33
▸ CDK1 P06493 2/20 0.33
▸ FLT1 P17948 2/20 0.33
▸ FLT4 P35916 2/20 0.33
▸ ROCK1 Q13464 2/20 0.33
▸ AURKB Q96GD4 2/20 0.33
▸ FGFR1 P11362 2/20 0.33
▸ LYN P07948 2/20 0.33
▸ PLK4 O00444 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ CSF1R P07333 1/20 0.33
▸ MET P08581 1/20 0.33
▸ PRKACA P17612 1/20 0.33
▸ RPS6KB1 P23443 1/20 0.33

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
SCHEMBL17354170 0.94 KDR (0.33) PIM1PIM3KDRROCK2FLT3
SCHEMBL13990 0.85 NAMPT (0.38) KDRROCK2FLT3LCKCDK1
SCHEMBL17354296 0.85 KDR (0.41) KDRROCK2FLT3LCKFLT1
SCHEMBL13728 0.85 KDR (0.34) KDRROCK2FLT3LCKCDK1
SCHEMBL17354505 0.84 HPSE (0.32) KDRROCK2FLT3LCKCDK1
SCHEMBL13637 0.84 LYN (0.36) KDRROCK2FLT3LCKCDK1
SCHEMBL13849 0.84 S1PR1 (0.39) KDRROCK2FLT3LCKCDK1
SCHEMBL14093 0.84 HDAC1 (0.37) KDRROCK2FLT3LCKCDK1
SCHEMBL13760 0.84 LYN (0.33) KDRROCK2FLT3LCKCDK1
SCHEMBL13852 0.83 MAPK14 (0.33) KDRROCK2FLT3LCKCDK1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9845297-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2017-12-19 — — US disclosed
US-9845297-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2017-12-19 — — US disclosed
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2016-02-04 — — US disclosed
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2016-02-04 — — US disclosed
US-9216979-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-12-22 — — US disclosed
US-9216979-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-12-22 — — US disclosed
US-20130090326-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2013-04-11 — — US disclosed
US-20130090326-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2013-04-11 — — US disclosed
WO-2011047323-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2011-04-21 — — 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 (2 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-20130090326-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT PIM1 1749/4885PIM3 1618/4885KDR 4838/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT PIM1 1749/4885PIM3 1618/4885KDR 4838/4885

“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.