SCHEMBL14830

SCHEMBL14830

N[C@H]1CCCN(Cc2ccc(-n3cc4cc[nH]c4nc3=O)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 3/20 0.43
PRKACG P22612 3/20 0.43
PRKACB P22694 3/20 0.43
ROCK2 O75116 5/20 0.42
PTPN11 Q06124 1/20 0.42
JAK2 O60674 5/20 0.37
JAK3 P52333 5/20 0.37
DOT1L Q8TEK3 1/20 0.36
JAK1 P23458 3/20 0.36
PBK Q96KB5 1/20 0.36
GAA P10253 1/20 0.35
PDGFRB P09619 2/20 0.35
KDR P35968 2/20 0.35
TYK2 P29597 2/20 0.35
DPP4 P27487 1/20 0.35

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
SCHEMBL14824 0.84 ROCK2 (0.44) ROCK2JAK2JAK3
SCHEMBL17277483 0.83 ROCK2 (0.44) ROCK2PDGFRBKDRDPP4
SCHEMBL12062093 0.81 ROCK2 (0.43) ROCK2PDGFRBKDR
SCHEMBL14775 0.80 TEAD1 (0.39) ROCK2JAK2JAK3JAK1TYK2
SCHEMBL22249166 0.78 ROCK2 (0.58) ROCK2GAADPP4
SCHEMBL17277492 0.77 PRKACA (0.40) PRKACAPRKACGPRKACBROCK2PDGFRB
SCHEMBL12075793 0.75 ROCK2 (0.39) PRKACAPRKACGPRKACBROCK2PDGFRB
SCHEMBL14019 0.75 MPO (0.39)
SCHEMBL12062180 0.75 ROCK2 (0.39) PRKACAPRKACGPRKACBROCK2PDGFRB
SCHEMBL22249097 0.71 ROCK2 (0.45) ROCK2GAA

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
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 PRKACA 1003/4885PRKACG 538/4885PRKACB 799/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT PRKACA 1003/4885PRKACG 538/4885PRKACB 799/4885

“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.