SCHEMBL14566

SCHEMBL14566

N#CCCCOc1cccc(-c2cc3cn(-c4ccc(CNCCCNC(=N)N)cc4)c(=O)nc3[nH]2)c1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 2/20 0.34
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
P2RY12 Q9H244 2/20 0.33
ABL1 P00519 1/20 0.33
EGFR P00533 1/20 0.33
SRC P12931 1/20 0.33
ABL2 P42684 1/20 0.33
KIT P10721 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
IL6 P05231 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL12062128 0.92 SRC (0.38) TLR7ABL1EGFRSRCABL2
SCHEMBL13966 0.91 SRC (0.38) TLR7PDE3BPDE3AP2RY12ABL1
SCHEMBL17277137 0.91 TLR7 (0.36) TLR7ABL1EGFRSRCABL2
SCHEMBL20082539 0.91 SRC (0.34) ABL1EGFRSRCABL2KIT
SCHEMBL14300 0.91 EGFR (0.34) ABL1EGFRSRCABL2KIT
SCHEMBL14477 0.90 SRC (0.35) TLR7ABL1EGFRSRCABL2
SCHEMBL12062172 0.89 ABL1 (0.35) TLR7ABL1EGFRSRCABL2
SCHEMBL14216 0.89 CHEK2 (0.39) ABL1EGFRSRCABL2KDM4E
SCHEMBL12062087 0.88 SRC (0.36) TLR7ABL1EGFRSRCABL2
SCHEMBL14157 0.88 EGFR (0.36) TLR7ABL1EGFRSRCABL2

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 5 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-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 TLR7 544/4885PDE3B 1172/4885PDE3A 1110/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT TLR7 544/4885PDE3B 1172/4885PDE3A 1110/4885

“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.