SCHEMBL4156296

SCHEMBL4156296

NCCCCn1cnc(-c2ccnc(N)n2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 2/20 0.41
CDK5R1 Q15078 2/20 0.41
CDC7 O00311 4/20 0.41
HRH3 Q9Y5N1 2/20 0.40
HSP90AA1 P07900 3/20 0.38
AURKA O14965 1/20 0.38
PRKACA P17612 1/20 0.38
ADORA2A P29274 1/20 0.38
KMO O15229 1/20 0.37
KDM5A P29375 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
DYRK1A Q13627 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HSP90AB1 P08238 1/20 0.35
PTK2 Q05397 1/20 0.35
GRM4 Q14833 1/20 0.35

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
SCHEMBL27835094 0.82 CDK5 (0.38) CDK5CDK5R1CDC7HSP90AA1AURKA
SCHEMBL4163605 0.80 HTR1A (0.41)
SCHEMBL7030913 0.75 TLR8 (0.41) NPC1RAB9AHRH4ALDH1A1MAPT
SCHEMBL4871159 0.75 CYP2E1 (0.41) GSK3B
SCHEMBL4172725 0.75 HPGDS (0.38)
SCHEMBL4865332 0.74 CYP2E1 (0.37) HRH3KDM5AKDM5BHRH4
SCHEMBL4869521 0.73 PDE10A (0.46) NPC1RAB9A
SCHEMBL5514756 0.71 ALDH1A1 (0.39) KDM5BALDH1A1
SCHEMBL5821644 0.71 CYP11B1 (0.41) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL5346379 0.71 CPB2 (0.40)

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
US-20090130225-A1 MACROLIDES DERIVATIVES AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2009-05-21 US disclosed
US-20090130225-A1 MACROLIDES DERIVATIVES AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2009-05-21 US disclosed
US-20090130225-A1 MACROLIDES DERIVATIVES AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2009-05-21 US disclosed
EP-1960413-A2 MACROLIDES DERIVATIVES AS ANTIBACTERIAL AGENTS Ranbaxy Laboratories Limited (IN) 2008-08-27 EP disclosed
WO-2007060618-A2 MACROLIDES DERIVATIVES AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2007-05-31 WO disclosed
WO-2007060618-A2 MACROLIDES DERIVATIVES AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2007-05-31 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-20090130225-A1 MACROLIDES DERIVATIVES AS ANTIBACTERIAL AGENTS MGAM, MLX, MYCBP CDK5 2075/4885CDK5R1 2279/4885CDC7 4300/4885

“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.