Sugi Predict

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SCHEMBL14057

SCHEMBL14057

N=C(N)NCCCN(CCCN)Cc1ccc(-n2cc3cc(-c4ccc(C(=O)NC5CCNCC5)cc4)[nH]c3nc2=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 1/20 0.36
▸ CHUK O15111 2/20 0.34
▸ INSR P06213 2/20 0.34
▸ MAPK8 P45983 2/20 0.34
▸ CAMKK2 Q96RR4 2/20 0.34
▸ SUV39H2 Q9H5I1 2/20 0.33
▸ DHODH Q02127 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ IKBKB O14920 1/20 0.32
▸ KHK P50053 2/20 0.32
▸ F2 P00734 1/20 0.32
▸ F10 P00742 1/20 0.32
▸ ST14 Q9Y5Y6 1/20 0.32
▸ BCL9 O00512 2/20 0.31
▸ CTNNB1 P35222 2/20 0.31
▸ MAPK14 Q16539 1/20 0.31
▸ SMYD3 Q9H7B4 3/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ JAK1 P23458 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
SCHEMBL13865 0.94 RIPK1 (0.40) RIPK1CHUKINSRMAPK8CAMKK2
SCHEMBL12061521 0.88 KIT (0.34) CHUKIKBKB
SCHEMBL13957 0.88 CHRNA7 (0.34) CHUKINSRMAPK8CAMKK2
SCHEMBL13982 0.87 RIPK1 (0.42) RIPK1CHUKINSRMAPK8CAMKK2
SCHEMBL14232 0.86 RIPK1 (0.39) RIPK1CHUKINSRMAPK8CAMKK2
SCHEMBL12075853 0.86 CHUK (0.32) RIPK1CHUKINSRMAPK8CAMKK2
SCHEMBL14320 0.86 RIPK1 (0.42) RIPK1CHUKINSRMAPK8CAMKK2
SCHEMBL14364 0.86 RIPK1 (0.40) RIPK1HDAC4HDAC6MAPK14SMYD3
SCHEMBL12061506 0.86 RIPK1 (0.39) RIPK1HDAC4HDAC6F2F10
SCHEMBL17277387 0.85 CHUK (0.32) CHUKINSRMAPK8CAMKK2BCL9

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 RIPK1 2895/4885CHUK 2953/4885INSR 4144/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT RIPK1 2895/4885CHUK 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.