SCHEMBL6404299

SCHEMBL6404299

Cc1ccc(NS(C)(=O)=O)cc1NC(=O)CN1CC2CCC(C1)N2c1ncnc2c1ncn2C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.37
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
LMNA P02545 1/20 0.34
RECQL P46063 1/20 0.34
ATM Q13315 1/20 0.34
WNT3A P56704 2/20 0.34
CHKA P35790 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
S1PR1 P21453 2/20 0.33

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
SCHEMBL6408514 0.87 KDM4E (0.36) BRAFKDM4EALDH1A1PKMLMNA
SCHEMBL6335936 0.85 MEN1 (0.44) ALDH1A1LMNACYP3A4CYP2D6CYP2C19
SCHEMBL6408653 0.84 PI4KB (0.40) BRAFKDM4EATMWNT3ACYP3A4
SCHEMBL6533769 0.76 PI4KB (0.39) ALDH1A1ATMWNT3AMEN1KMT2A
SCHEMBL6334571 0.76 P2RX7 (0.46) KDM4EALDH1A1LMNARECQLATM
SCHEMBL6332610 0.74 PKM (0.39) BRAFKDM4EALDH1A1PKMATM
SCHEMBL6332611 0.74 PKM (0.39) BRAFKDM4EALDH1A1PKMATM
SCHEMBL6337116 0.73 PIK3CD (0.34) MEN1KMT2A
SCHEMBL6489320 0.71 HPGD (0.46) ALDH1A1LMNACYP3A4CYP2D6CYP2C19
SCHEMBL6334422 0.71 HPGD (0.46) ALDH1A1LMNACYP3A4CYP2D6CYP2C19

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 8 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
EP-1242427-A1 NOVEL PIPERIDINE AND PIPERAZINE DERIVATIVES AstraZeneca AB (SE) 2002-09-25 EP claimed
WO-2001046200-A1 NOVEL PIPERIDINE AND PIPERAZINE DERIVATIVES ASTRAZENECA AB (SE) 2001-06-28 WO 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 BRAF 2651/4885KDM4E 1104/4885ALDH1A1 187/4885
US-20030013721-A1 Novel piperidine and piperazine derivatives IL5, VIP, EP300 BRAF 2862/4885KDM4E 1566/4885ALDH1A1 68/4885

“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.