SCHEMBL1283397

SCHEMBL1283397

CCN(C(N)=O)c1nc2cc(-c3cnc(N4CCC(C)(C(=O)O)CC4)nc3)cc(-c3ncccc3OC)c2s1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.33
ALOX5AP P20292 1/20 0.33
SYK P43405 1/20 0.32
PDE5A O76074 2/20 0.31
SSTR5 P35346 1/20 0.31
TP53 P04637 1/20 0.31
HTR1A P08908 2/20 0.31
KIT P10721 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
PARP1 P09874 1/20 0.30
USP2 O75604 1/20 0.30
ROCK2 O75116 1/20 0.30
DRD4 P21917 1/20 0.30
WHR1 P49842 1/20 0.30

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
SCHEMBL1282894 0.91 PTPN11 (0.35) PTPN11WHR1
SCHEMBL1283194 0.91 PRKCA (0.34) PTPN11SSTR5
SCHEMBL1283057 0.90 PRKCA (0.32) MEN1KMT2AROCK2
SCHEMBL1283013 0.90
SCHEMBL1282403 0.88 PTPN11 (0.36) PTPN11SSTR5KIT
SCHEMBL17233339 0.87
SCHEMBL1282205 0.87 PTPN11 (0.33) PTPN11
SCHEMBL1282728 0.86 DGAT1 (0.31) PTPN11
SCHEMBL1283840 0.86 CNR1 (0.33)
SCHEMBL1282997 0.85 PTPN11 (0.30) PTPN11

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181234-B2 Antibacterial compounds BIOTA EUROPE LTD. (GB) 2015-11-10 US claimed
US-20120088750-A1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD. (GB) 2012-04-12 US claimed
US-20170007615-A1 Antibacterial Compounds SPERO GYRASE, INC. 2017-01-12 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 (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-20120088750-A1 ANTIBACTERIAL COMPOUNDS MRPL21, NISCH, LSS PTPN11 4067/4885ALOX5AP 1143/4885SYK 4004/4885
US-20170007615-A1 Antibacterial Compounds CLPP, MRPL21, RELA PTPN11 2315/4885ALOX5AP 3471/4885SYK 3146/4885

“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.