SCHEMBL3881561

SCHEMBL3881561

O=C1CCCN1c1ccc(-c2nc3c(s2)CCNCC3)cn1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.46
PARP1 P09874 2/20 0.41
PIM1 P11309 4/20 0.38
PIM3 Q86V86 4/20 0.38
PIM2 Q9P1W9 4/20 0.38
FGFR3 P22607 1/20 0.38
HTR6 P50406 1/20 0.36
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
KDM1A O60341 5/20 0.34
PDCD1 Q15116 2/20 0.33
CD274 Q9NZQ7 2/20 0.33
ITGA2B P08514 1/20 0.32
GPR119 Q8TDV5 1/20 0.32

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
SCHEMBL3879657 0.83 PDCD1 (0.33) PIM1PDCD1CD274ITGA2BGPR119
SCHEMBL3883722 0.81 CNR2 (0.43) CNR2PARP1PIM1PIM3PIM2
SCHEMBL3883724 0.81 CNR2 (0.42) CNR2PARP1PIM1PIM3PIM2
SCHEMBL3879513 0.79 CNR2 (0.43) CNR2PARP1PIM1PIM3PIM2
SCHEMBL3879640 0.74 PDCD1 (0.38) PDCD1CD274
SCHEMBL3880206 0.72 TDO2 (0.39) CCNCCDK8PDCD1CD274
SCHEMBL3880210 0.69 TDO2 (0.39) CCNCCDK8
SCHEMBL20783864 0.69 CNR2 (0.46) CNR2
SCHEMBL3878538 0.69 NPC1 (0.37) PARP1PDCD1CD274
SCHEMBL24894780 0.68 CNR2 (0.48) CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1858900-B1 FUSED THIAZOLE DERIVATIVES HAVING AFFINITY FOR THE HISTAMINE H3 RECEPTOR GLAXO GROUP LTD (GB) 2009-01-07 EP disclosed
US-20080161289-A1 Fused Thiazole Derivatives Having Affinity for the Histamine H3 Receptor GLAXO GROUP LIMITED 2008-07-03 US disclosed
EP-1858900-A1 FUSED THIAZOLE DERIVATIVES HAVING AFFINITY FOR THE HISTAMINE H3 RECEPTOR GLAXO GROUP LIMITED (GB) 2007-11-28 EP disclosed
WO-2006097691-A1 FUSED THIAZOLE DERIVATIVES HAVING AFFINITY FOR THE HISTAMINE H3 RECEPTOR GLAXO GROUP LIMITED (GB) 2006-09-21 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-20080161289-A1 Fused Thiazole Derivatives Having Affinity for the Histamine H3 Receptor HRH3, HRH4, HRH2 CNR2 79/4885PARP1 4142/4885PIM1 2510/4885

“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.