SCHEMBL12062124

SCHEMBL12062124

N=C(N)NCCCNC(=O)c1ccc(-n2cc3cc(-c4ccc(C[C@H](N)CO)cc4)[nH]c3nc2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHUK O15111 3/20 0.40
INSR P06213 3/20 0.40
MAPK8 P45983 3/20 0.40
CAMKK2 Q96RR4 3/20 0.40
RIPK1 Q13546 3/20 0.36
F10 P00742 4/20 0.34
CSF1R P07333 1/20 0.33
F9 P00740 1/20 0.33
AKT1 P31749 1/20 0.32
MAPT P10636 1/20 0.32
SPR P35270 1/20 0.32
ERBB2 P04626 4/20 0.32
KDR P35968 4/20 0.32
HDAC3 O15379 2/20 0.32
HDAC4 P56524 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC7 Q8WUI4 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC10 Q969S8 2/20 0.32
HDAC11 Q96DB2 2/20 0.32

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
SCHEMBL14049 0.86 KIT (0.34) ERBB2KDRHDAC3HDAC4HDAC1
SCHEMBL14232 0.80 RIPK1 (0.39) CHUKINSRMAPK8CAMKK2RIPK1
SCHEMBL17484562 0.80 LMNA (0.38) CHUKINSRMAPK8CAMKK2F10
SCHEMBL13627 0.79 F9 (0.38) CHUKINSRMAPK8CAMKK2F10
SCHEMBL14438 0.78 EGFR (0.37) RIPK1CSF1RERBB2KDRHDAC3
SCHEMBL14568 0.78 F10 (0.41) CHUKINSRMAPK8CAMKK2RIPK1
SCHEMBL21367988 0.78 CHUK (0.34) CHUKINSRMAPK8CAMKK2
SCHEMBL12075213 0.78 MEN1 (0.39) CHUKINSRMAPK8CAMKK2F10
SCHEMBL14447 0.77 KIT (0.36) CSF1RERBB2KDRHDAC3HDAC4
SCHEMBL14030 0.77 P2RY14 (0.39) CHUKINSRMAPK8CAMKK2F10

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-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

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-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT CHUK 2953/4885INSR 4144/4885MAPK8 4287/4885

“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.