SCHEMBL13966

SCHEMBL13966

N=C(N)NCCCNCc1ccc(-n2cc3cc(-c4cccc(OCCCO)c4)[nH]c3nc2=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 5/20 0.38
ABL1 P00519 3/20 0.38
EGFR P00533 3/20 0.38
ABL2 P42684 3/20 0.38
TLR7 Q9NYK1 2/20 0.33
CDK1 P06493 1/20 0.33
CSK P41240 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
CHUK O15111 1/20 0.32
INSR P06213 1/20 0.32
MAPK8 P45983 1/20 0.32
CAMKK2 Q96RR4 1/20 0.32
PDE2A O00408 2/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
P2RY12 Q9H244 1/20 0.31
KLKB1 P03952 1/20 0.31
KIT P10721 1/20 0.31
VSIR Q9H7M9 1/20 0.31

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 0.98 SRC (0.38) SRCABL1EGFRABL2TLR7
SCHEMBL12062087 0.96 SRC (0.36) SRCABL1EGFRABL2TLR7
SCHEMBL17277137 0.93 TLR7 (0.36) SRCABL1EGFRABL2TLR7
SCHEMBL20082539 0.93 SRC (0.34) SRCABL1EGFRABL2KDM4E
SCHEMBL14300 0.93 EGFR (0.34) SRCABL1EGFRABL2KDM4E
SCHEMBL14477 0.93 SRC (0.35) SRCABL1EGFRABL2TLR7
SCHEMBL12062172 0.91 ABL1 (0.35) SRCABL1EGFRABL2TLR7
SCHEMBL14566 0.91 TLR7 (0.34) SRCABL1EGFRABL2TLR7
SCHEMBL14216 0.91 CHEK2 (0.39) SRCABL1EGFRABL2KDM4E
SCHEMBL14157 0.91 EGFR (0.36) SRCABL1EGFRABL2TLR7

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 SRC 4488/4885ABL1 2715/4885EGFR 4722/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT SRC 4488/4885ABL1 2715/4885EGFR 4722/4885

“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.