SCHEMBL14490

SCHEMBL14490

C=Cc1cc2cn(-c3ccc(C(=O)NCCCNC(=N)N)cc3)c(=O)nc2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F9 P00740 3/20 0.36
F10 P00742 3/20 0.33
GPR84 Q9NQS5 1/20 0.33
ITGB3 P05106 7/20 0.32
ITGA2B P08514 7/20 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
GAA P10253 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
SCHEMBL13627 0.86 F9 (0.38) F9F10ITGB3ITGA2BCHUK
SCHEMBL12075213 0.84 MEN1 (0.39) F9F10GPR84ITGB3ITGA2B
SCHEMBL17484562 0.84 LMNA (0.38) F9F10ITGB3ITGA2BCHUK
SCHEMBL12061813 0.83 F10 (0.39) F9F10GPR84ITGB3ITGA2B
SCHEMBL20082489 0.82 F10 (0.36) F9F10GPR84ITGB3ITGA2B
SCHEMBL17277293 0.82 F9 (0.39) F9F10CHUKINSRMAPK8
SCHEMBL12062045 0.79 F9 (0.37) F9F10GAA
SCHEMBL20019807 0.77
SCHEMBL14461 0.77 ACP1 (0.36) F9
SCHEMBL12062124 0.77 CHUK (0.40) F9F10CHUKINSRMAPK8

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 F9 3207/4885F10 2394/4885GPR84 4716/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT F9 3207/4885F10 2394/4885GPR84 4716/4885

“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.