SCHEMBL14201

SCHEMBL14201

Cc1nc(=O)c(-c2ccc(CNCCCNC(=N)N)c(Cl)c2)c[nH]1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDCD1LG2 Q9BQ51 5/20 0.37
CD274 Q9NZQ7 5/20 0.37
BCHE P06276 3/20 0.34
ACHE P22303 3/20 0.34
ROCK2 O75116 2/20 0.32
ROCK1 Q13464 2/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
P2RX7 Q99572 1/20 0.31
EPHX2 P34913 1/20 0.30
CD38 P28907 1/20 0.30
DGAT1 O75907 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
SCHEMBL14042 0.91 BTK (0.32) CD274BCHEACHE
SCHEMBL13869 0.90 CD274 (0.37) PDCD1LG2CD274ACHE
SCHEMBL14850297 0.88 PDCD1LG2 (0.35) PDCD1LG2CD274BCHEACHEEPHX2
SCHEMBL17354492 0.88 CD274 (0.40) PDCD1LG2CD274BCHEACHEROCK2
SCHEMBL13547 0.85 PARP1 (0.37) PDCD1LG2CD274CNR1CNR2
SCHEMBL13752 0.81 PNP (0.35) BCHEACHE
SCHEMBL14850303 0.80 BTK (0.34)
SCHEMBL14850298 0.78 PDCD1LG2 (0.35) PDCD1LG2CD274
SCHEMBL14850307 0.77 CD274 (0.39) PDCD1LG2CD274BCHEACHEROCK2
SCHEMBL21513920 0.73 PARP1 (0.38) CD274

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
US-9845297-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2017-12-19 US disclosed
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2016-02-04 US disclosed
US-9216979-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-12-22 US disclosed
US-20130090326-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2013-04-11 US disclosed
WO-2011047323-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-20130090326-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT PDCD1LG2 3978/4885CD274 3478/4885BCHE 1327/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT PDCD1LG2 3978/4885CD274 3478/4885BCHE 1327/4885

“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.