SCHEMBL6402827

SCHEMBL6402827

Cc1ccc(NS(C)(=O)=O)cc1NC(=O)CN1CC2CCC(N2)C1c1ncnc2sccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.37
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
CSNK2A1 P68400 1/20 0.32
BRAF P15056 1/20 0.32
BRD4 O60885 2/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
KDR P35968 1/20 0.31
PIP4K2A P48426 1/20 0.31
PIP4K2C Q8TBX8 1/20 0.31
S1PR1 P21453 1/20 0.31
CDK2 P24941 1/20 0.31
FLT3 P36888 1/20 0.31

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
SCHEMBL6332610 0.77 PKM (0.39) PKMKMT2AGAABRAFPOLB
SCHEMBL6332611 0.77 PKM (0.39) PKMKMT2AGAABRAFPOLB
SCHEMBL6403292 0.72 PKM (0.39) PKMKMT2AGAABRAFPOLB
SCHEMBL6532211 0.71 HRH3 (0.36) PKMNPC1ALDH1A1LMNATP53
SCHEMBL6527814 0.70 KDR (0.35) PKMGAAPOLBNPC1ALDH1A1
SCHEMBL6408653 0.68 PI4KB (0.40) KMT2ABRAFL3MBTL1NPC1S1PR1
SCHEMBL6408660 0.67 PSMD14 (0.32) KMT2ABRAFPOLBL3MBTL1ALDH1A1
SCHEMBL6405533 0.65 PKM (0.37) PKMKMT2AGAAPOLBL3MBTL1
SCHEMBL6405526 0.65 PKM (0.37) PKMKMT2AGAAPOLBL3MBTL1
SCHEMBL6532607 0.65 P2RX7 (0.43) KMT2AGAAL3MBTL1ALDH1A1LMNA

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-1242427-B1 NOVEL PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2003-08-13 EP claimed
US-20030013721-A1 Novel piperidine and piperazine derivatives ASTRAZENECA AB (SE) 2003-01-16 US claimed
US-20050272745-A1 Novel piperidine and piperazine derivatives ASTRAZENECA AB 2005-12-08 US disclosed
US-6969713-B2 Piperidine and piperazine acetamide derivatives ASTRAZENECA AB (SE) 2005-11-29 US disclosed
EP-1242427-B1 NOVEL PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2003-08-13 EP disclosed
US-20030013721-A1 Novel piperidine and piperazine derivatives ASTRAZENECA AB (SE) 2003-01-16 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-20050272745-A1 Novel piperidine and piperazine derivatives CYP3A5, IL5, ABCC5 PKM 658/4885KMT2A 2331/4885GAA 1394/4885
US-20030013721-A1 Novel piperidine and piperazine derivatives IL5, VIP, EP300 PKM 658/4885KMT2A 2632/4885GAA 1113/4885

“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.