SCHEMBL14293

SCHEMBL14293

CN(C)CCCOc1cccc(-c2cc3cn(-c4ccc(CN)cc4)c(=O)nc3[nH]2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.42
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
MAPK14 Q16539 1/20 0.38
DYRK3 O43781 1/20 0.38
MAP4K4 O95819 1/20 0.38
PIM1 P11309 1/20 0.38
RPS6KB1 P23443 1/20 0.38
CSNK2A1 P68400 1/20 0.38
PKN2 Q16513 1/20 0.38
PIM3 Q86V86 1/20 0.38
BRSK1 Q8TDC3 1/20 0.38
AURKB Q96GD4 1/20 0.38
HIPK2 Q9H2X6 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
STK17A Q9UEE5 1/20 0.38
MAP4K5 Q9Y4K4 1/20 0.38

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
SCHEMBL14187 0.91 IKBKB (0.35) ADORA2AADORA1CSF1RCHUK
SCHEMBL14038 0.89 GSK3B (0.37) ADORA2AADORA1FGFR1CSF1RCHUK
SCHEMBL14156 0.88 PDE2A (0.37) ADORA2ASRC
SCHEMBL13916 0.88 PDE3B (0.35) ADORA2ASRCCSF1RROCK2
SCHEMBL14166 0.88 DRD2 (0.36) ADORA2AADORA1CSF1RCHUK
SCHEMBL14409 0.87 PDE3B (0.39) ADORA2AADORA1FGFR1CSF1RKDM4E
SCHEMBL14433 0.86 CSF1R (0.39) CHEK2SRCCSF1R
SCHEMBL12062111 0.86 IKBKB (0.33) ADORA2AADORA1SRCCSF1RCHUK
SCHEMBL14136 0.86 PDE3B (0.40) CSF1R
SCHEMBL14564 0.85 EGLN1 (0.36) MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488525-B1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MELINTA THERAPEUTICS INC (US) 2018-04-25 EP disclosed
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2016-02-04 US disclosed
US-9193731-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-11-24 US disclosed
US-9193731-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-11-24 US disclosed
US-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2012-08-30 US disclosed
US-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2012-08-30 US disclosed
WO-2011047319-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-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT CHEK2 4573/4885ADORA2A 3926/4885ADORA1 3151/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT CHEK2 4573/4885ADORA2A 3926/4885ADORA1 3151/4885

“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.