SCHEMBL13982

SCHEMBL13982

NCCCN(CCCN)Cc1ccc(-n2cc3cc(-c4ccc(C(=O)N[C@H]5CC[C@H](O)CC5)cc4)[nH]c3nc2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.42
ACVR1 Q04771 4/20 0.36
SMYD3 Q9H7B4 7/20 0.34
BMPR1B O00238 3/20 0.34
BMPR1A P36894 3/20 0.34
TGFBR1 P36897 3/20 0.34
ACVRL1 P37023 3/20 0.34
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
BRD4 O60885 1/20 0.33
MAPK8 P45983 2/20 0.33
MAPKAPK2 P49137 1/20 0.33
CHUK O15111 1/20 0.33
INSR P06213 1/20 0.33
CAMKK2 Q96RR4 1/20 0.33
KDM4E B2RXH2 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
CHEK1 O14757 1/20 0.32
BACE1 P56817 1/20 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
SCHEMBL14320 0.93 RIPK1 (0.42) RIPK1SMYD3CCNCCDK8MAPK8
SCHEMBL13865 0.93 RIPK1 (0.40) RIPK1SMYD3MAPK8MAPKAPK2CHUK
SCHEMBL14364 0.92 RIPK1 (0.40) RIPK1SMYD3TGFBR1BRD4KDM4E
SCHEMBL12061506 0.91 RIPK1 (0.39) RIPK1ACVR1SMYD3BMPR1BBMPR1A
SCHEMBL12061503 0.88 MEN1 (0.38) RIPK1CCNCCDK8MAPK8CHUK
SCHEMBL12061496 0.88 SMYD3 (0.38) ACVR1SMYD3BMPR1BBMPR1ATGFBR1
SCHEMBL14057 0.87 RIPK1 (0.36) RIPK1SMYD3MAPK8CHUKINSR
SCHEMBL12061498 0.85 CHRNA7 (0.38)
SCHEMBL13764 0.85 CHUK (0.37) RIPK1MAPK8CHUKINSRCAMKK2
SCHEMBL12075844 0.85 CHUK (0.45) RIPK1MAPK8CHUKINSRCAMKK2

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-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
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 (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-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT RIPK1 2895/4885ACVR1 4858/4885SMYD3 1798/4885

“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.