Sugi Predict

Sugi Predict / Compounds / SCHEMBL14187

SCHEMBL14187

SCHEMBL14187

NCCCOc1cccc(-c2cc3cn(-c4ccc(CN)cc4)c(=O)nc3[nH]2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 1/20 0.35
▸ CHUK O15111 1/20 0.35
▸ FGFR2 P21802 1/20 0.34
▸ FGFR3 P22607 1/20 0.34
▸ CSF1R P07333 1/20 0.34
▸ CDC7 O00311 1/20 0.34
▸ ADORA2A P29274 2/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ HDAC3 O15379 2/20 0.33
▸ HDAC4 P56524 2/20 0.33
▸ HDAC1 Q13547 2/20 0.33
▸ HDAC7 Q8WUI4 2/20 0.33
▸ HDAC2 Q92769 2/20 0.33
▸ HDAC10 Q969S8 2/20 0.33
▸ HDAC11 Q96DB2 2/20 0.33
▸ HDAC8 Q9BY41 2/20 0.33
▸ HDAC6 Q9UBN7 2/20 0.33
▸ HDAC9 Q9UKV0 2/20 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
SCHEMBL14038 0.96 GSK3B (0.37) IKBKBCHUKFGFR2FGFR3CSF1R
SCHEMBL14156 0.93 PDE2A (0.37) ADORA2AADORA2BHDAC3HDAC4HDAC1
SCHEMBL13916 0.93 PDE3B (0.35) FGFR2FGFR3CSF1RADORA2AADORA2B
SCHEMBL14166 0.93 DRD2 (0.36) IKBKBCHUKFGFR2FGFR3CSF1R
SCHEMBL14293 0.91 CHEK2 (0.42) CHUKCSF1RADORA2AADORA1
SCHEMBL14136 0.91 PDE3B (0.40) CSF1RCDC7
SCHEMBL12062111 0.91 IKBKB (0.33) IKBKBCHUKFGFR2FGFR3CSF1R
SCHEMBL13944 0.90 HDAC3 (0.35) CDC7ADORA2AADORA2BHDAC3HDAC4
SCHEMBL14564 0.90 EGLN1 (0.36) —
SCHEMBL14409 0.90 PDE3B (0.39) IKBKBCHUKFGFR2FGFR3CSF1R

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 IKBKB 2574/4885CHUK 2953/4885FGFR2 4870/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT IKBKB 2574/4885CHUK 2953/4885FGFR2 4870/4885

“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.