Sugi Predict

Sugi Predict / Compounds / SCHEMBL13875

SCHEMBL13875

SCHEMBL13875

NCCCNCc1ccc(-c2c[nH]c(Nc3nc4cc(F)c(F)cc4o3)nc2=O)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK4 O00444 2/20 0.34
▸ CHEK1 O14757 2/20 0.34
▸ ROCK2 O75116 2/20 0.34
▸ PRKD3 O94806 2/20 0.34
▸ MAP4K4 O95819 2/20 0.34
▸ PRKCG P05129 2/20 0.34
▸ LCK P06239 2/20 0.34
▸ RET P07949 2/20 0.34
▸ PIM1 P11309 2/20 0.34
▸ RPS6KB1 P23443 2/20 0.34
▸ FLT3 P36888 2/20 0.34
▸ PRKCI P41743 2/20 0.34
▸ CSNK1D P48730 2/20 0.34
▸ RPS6KA3 P51812 2/20 0.34
▸ NEK2 P51955 2/20 0.34
▸ NEK4 P51957 2/20 0.34
▸ CSNK1G2 P78368 2/20 0.34
▸ CDK5 Q00535 2/20 0.34
▸ PRKCD Q05655 2/20 0.34
▸ MAP4K2 Q12851 2/20 0.34

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
SCHEMBL17354352 0.93 PLK4 (0.33) PLK4CHEK1ROCK2PRKD3MAP4K4
SCHEMBL13605 0.92 MC4R (0.34) MC4RMC5RMC3R
SCHEMBL14122 0.90 PLK4 (0.32) PLK4CHEK1ROCK2PRKD3MAP4K4
SCHEMBL17354190 0.86 DRD2 (0.32) MC4RMC5RMC3R
SCHEMBL13899 0.85 PLK4 (0.34) PLK4CHEK1ROCK2PRKD3MAP4K4
SCHEMBL17354250 0.83 KDM1A (0.31) PLK4CHEK1ROCK2PRKD3MAP4K4
SCHEMBL13833 0.82 PARP1 (0.35) PRKAA1PARP1MC4RMC5RMC3R
SCHEMBL14850256 0.80 MAP4K4 (0.41) PLK4CHEK1ROCK2PRKD3MAP4K4
SCHEMBL17354224 0.79 PLK4 (0.32) PLK4CHEK1ROCK2PRKD3MAP4K4
SCHEMBL13711 0.79 PLK4 (0.32) PLK4CHEK1ROCK2PRKD3MAP4K4

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 PLK4 4009/4885CHEK1 4336/4885ROCK2 3307/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT PLK4 4009/4885CHEK1 4336/4885ROCK2 3307/4885

“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.