SCHEMBL14042

SCHEMBL14042

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

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.32
KLKB1 P03952 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 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
SCHEMBL14201 0.91 PDCD1LG2 (0.37) BCHEACHECD274
SCHEMBL13869 0.90 CD274 (0.37) BTKKLKB1ACHEPDCD1CD274
SCHEMBL14850303 0.89 BTK (0.34) BTK
SCHEMBL17354492 0.89 CD274 (0.40) BCHEACHEPDCD1CD274
SCHEMBL13547 0.86 PARP1 (0.37) PDCD1CD274
SCHEMBL13752 0.82 PNP (0.35) BCHEACHE
SCHEMBL14850297 0.79 PDCD1LG2 (0.35) BCHEACHECD274
SCHEMBL14850298 0.79 PDCD1LG2 (0.35) BTKCD274
SCHEMBL14850307 0.77 CD274 (0.39) BCHEACHEPDCD1CD274
SCHEMBL17354301 0.76 ABL1 (0.33) BTKPDCD1CD274

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 4 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
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 (1 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-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT BTK 3114/4885KLKB1 1769/4885BCHE 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.