SCHEMBL3880002

SCHEMBL3880002

N#Cc1ccc(N2CCC(c3nc4c(s3)CCN(C3=CC=C3)CC4)CC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.36
JAK2 O60674 3/20 0.36
JAK1 P23458 2/20 0.36
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
GPR119 Q8TDV5 1/20 0.33
CHEK1 O14757 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
LCAT P04180 1/20 0.32
MLYCD O95822 1/20 0.32
HSD11B1 P28845 1/20 0.32
AVPR1A P37288 1/20 0.32
CYP3A4 P08684 2/20 0.31
CHRNA10 Q9GZZ6 1/20 0.31
CHRNA9 Q9UGM1 1/20 0.31
HTR7 P34969 2/20 0.31
HTR1A P08908 1/20 0.31
HRH3 Q9Y5N1 2/20 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
SCHEMBL3881737 0.86 CHRNB2 (0.39) LCATHRH3
SCHEMBL3880700 0.86 LCAT (0.35) LCATMLYCD
SCHEMBL3878552 0.85 CYP3A4 (0.41) TP53CYP3A4
SCHEMBL3879997 0.82 HRH3 (0.41) PARP1JAK2JAK1KDM4ETP53
SCHEMBL3880244 0.82 LCAT (0.33) LCAT
SCHEMBL3881400 0.82 PIK3CG (0.32) MLYCD
SCHEMBL3879182 0.81 FASN (0.39) CYP3A4
SCHEMBL3881462 0.81 CHRNB2 (0.42) LCATHRH3
SCHEMBL3879943 0.79 MEN1 (0.37)
SCHEMBL3880463 0.78 MLYCD (0.34) KDM4EMLYCDCYP3A4HRH3

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-1858900-B1 FUSED THIAZOLE DERIVATIVES HAVING AFFINITY FOR THE HISTAMINE H3 RECEPTOR GLAXO GROUP LTD (GB) 2009-01-07 EP claimed
US-20080161289-A1 Fused Thiazole Derivatives Having Affinity for the Histamine H3 Receptor GLAXO GROUP LIMITED 2008-07-03 US claimed
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 PARP1 4142/4885JAK2 669/4885JAK1 1634/4885

“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.