SCHEMBL1282403

SCHEMBL1282403

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.36
KIT P10721 2/20 0.33
GAK O14976 4/20 0.32
MAPT P10636 1/20 0.32
SSTR5 P35346 1/20 0.32
AOC3 Q16853 4/20 0.31
DGAT1 O75907 1/20 0.31
KCNH2 Q12809 1/20 0.31
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
ADORA1 P30542 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
SCHEMBL1282202 0.90 DGAT1 (0.33) AOC3DGAT1KCNH2
SCHEMBL1282345 0.89 MEN1 (0.34) MAPTAOC3DGAT1KCNH2
SCHEMBL1282442 0.89 DGAT1 (0.30) PTPN11DGAT1KCNH2
SCHEMBL1282894 0.88 PTPN11 (0.35) PTPN11GAKMAPTADORA2AADORA2B
SCHEMBL1282931 0.88 PARP1 (0.35) PTPN11
SCHEMBL1283397 0.88 PTPN11 (0.33) PTPN11KITSSTR5
SCHEMBL1283013 0.86
SCHEMBL1282848 0.86 DGAT1 (0.31) DGAT1KCNH2
SCHEMBL1283194 0.86 PRKCA (0.34) PTPN11SSTR5
SCHEMBL1282268 0.86 DGAT1 (0.31) DGAT1KCNH2

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 5 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
US-9181234-B2 Antibacterial compounds BIOTA EUROPE LTD. (GB) 2015-11-10 US disclosed
US-20120088750-A1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD. (GB) 2012-04-12 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 4067/4885KIT 4400/4885GAK 3777/4885
US-20170007615-A1 Antibacterial Compounds CLPP, MRPL21, RELA PTPN11 2315/4885KIT 4808/4885GAK 2350/4885

“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.