Sugi Predict

Sugi Predict / Compounds / SCHEMBL14409

SCHEMBL14409

SCHEMBL14409

CCOCCOc1cccc(-c2cc3cn(-c4ccc(CN)cc4)c(=O)nc3[nH]2)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ P2RY12 Q9H244 1/20 0.39
▸ FGFR2 P21802 2/20 0.37
▸ FGFR3 P22607 2/20 0.37
▸ GAA P10253 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ ADORA2A P29274 4/20 0.34
▸ ADORA1 P30542 2/20 0.34
▸ ADORA2B P29275 2/20 0.33
▸ CSF1R P07333 1/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ KIT P10721 2/20 0.33
▸ IKBKB O14920 1/20 0.33
▸ CHUK O15111 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
SCHEMBL14433 0.92 CSF1R (0.39) CSF1R
SCHEMBL14187 0.90 IKBKB (0.35) FGFR2FGFR3ADORA2AADORA1ADORA2B
SCHEMBL13916 0.89 PDE3B (0.35) PDE3BPDE3AP2RY12FGFR2FGFR3
SCHEMBL14166 0.89 DRD2 (0.36) FGFR2FGFR3ADORA2AADORA1ADORA2B
SCHEMBL12062075 0.89 PDE2A (0.35) PDE3BPDE3AP2RY12ADORA2AADORA2B
SCHEMBL14376 0.88 EGLN1 (0.37) PDE3BPDE3AADORA2AADORA2BKIT
SCHEMBL14293 0.87 CHEK2 (0.42) KDM4EADORA2AADORA1CSF1RFGFR1
SCHEMBL14195 0.85 MTNR1A (0.42) ADORA2AADORA2B
SCHEMBL14136 0.85 PDE3B (0.40) PDE3BPDE3AP2RY12CSF1RKIT
SCHEMBL12062111 0.85 IKBKB (0.33) FGFR2FGFR3ADORA2AADORA1ADORA2B

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 6 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
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 PDE3B 1172/4885PDE3A 1110/4885P2RY12 4563/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT PDE3B 1172/4885PDE3A 1110/4885P2RY12 4563/4885

“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.