SCHEMBL14216

SCHEMBL14216

CN(C)CCCOc1cccc(-c2cc3cn(-c4ccc(CNCCCNC(=N)N)cc4)c(=O)nc3[nH]2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.39
CHUK O15111 2/20 0.37
INSR P06213 2/20 0.37
MAPK8 P45983 2/20 0.37
CAMKK2 Q96RR4 2/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
ROCK2 O75116 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
ROCK1 Q13464 1/20 0.35
DYRK3 O43781 1/20 0.35
MAP4K4 O95819 1/20 0.35
PIM1 P11309 1/20 0.35
RPS6KB1 P23443 1/20 0.35
CSNK2A1 P68400 1/20 0.35
PKN2 Q16513 1/20 0.35
PIM3 Q86V86 1/20 0.35
BRSK1 Q8TDC3 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
SCHEMBL17277137 0.92 TLR7 (0.36) EGFRSRCABL1ABL2FAAH
SCHEMBL12062128 0.92 SRC (0.38) CHUKINSRMAPK8CAMKK2ADORA2A
SCHEMBL14477 0.91 SRC (0.35) ADORA2AEGFRSRCABL1ABL2
SCHEMBL13966 0.91 SRC (0.38) CHUKINSRMAPK8CAMKK2ADORA2A
SCHEMBL12062173 0.91 KCNA5 (0.35) CHEK2CHUKINSRMAPK8CAMKK2
SCHEMBL14300 0.91 EGFR (0.34) ADORA2AEGFRSRCABL1ABL2
SCHEMBL20082539 0.91 SRC (0.34) ADORA2AEGFRSRCABL1ABL2
SCHEMBL14565 0.90 CHEK2 (0.39) CHEK2CHUKINSRMAPK8CAMKK2
SCHEMBL14157 0.90 EGFR (0.36) CHEK2ADORA2AROCK1EGFRSRC
SCHEMBL12062172 0.89 ABL1 (0.35) EGFRSRCABL1ABL2KDM4E

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 CHEK2 4573/4885CHUK 2953/4885INSR 4144/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT CHEK2 4573/4885CHUK 2953/4885INSR 4144/4885

“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.