SCHEMBL13627

SCHEMBL13627

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 3/20 0.38
CHUK O15111 1/20 0.35
INSR P06213 1/20 0.35
MAPK8 P45983 1/20 0.35
CAMKK2 Q96RR4 1/20 0.35
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35
F10 P00742 1/20 0.34
PRSS1 P07477 1/20 0.34
ITGB3 P05106 4/20 0.34
ITGA2B P08514 4/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
GAA P10253 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL17277293 0.96 F9 (0.39) F9CHUKINSRMAPK8CAMKK2
SCHEMBL12061813 0.90 F10 (0.39) F9CHUKINSRMAPK8CAMKK2
SCHEMBL20019807 0.89
SCHEMBL17277467 0.89 FLT3 (0.42) F9MAPK8KDM4E
SCHEMBL12075213 0.89 MEN1 (0.39) F9CHUKINSRMAPK8CAMKK2
SCHEMBL17484562 0.89 LMNA (0.38) F9CHUKINSRMAPK8CAMKK2
SCHEMBL17277485 0.88 KMT2A (0.42) F9ABL1BCRF10GAA
SCHEMBL20082489 0.86 F10 (0.36) F9CHUKINSRMAPK8CAMKK2
SCHEMBL14490 0.86 F9 (0.36) F9CHUKINSRMAPK8CAMKK2
SCHEMBL12062045 0.85 F9 (0.37) F9ABL1BCRF10PRSS1

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
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-9221827-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-12-29 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-20140163049-A1 Antimicrobial Compounds and Methods of Making and Using the Same MELINTA THERAPEUTICS, INC. (US) 2014-06-12 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-20140163049-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT F9 3207/4885CHUK 2953/4885INSR 4144/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT F9 3207/4885CHUK 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.