SCHEMBL5221066

SCHEMBL5221066

Cc1nc(C)c(-c2ccc3cc(-c4c(C5CCCCC5)c5ccc(C(=O)O)cc5n4CC(=O)N4CCC(N5CCOCC5)CC4)ccc3n2)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.36
KCNH2 Q12809 3/20 0.35
HRH3 Q9Y5N1 2/20 0.35
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
SCN9A Q15858 1/20 0.34
CBX7 O95931 1/20 0.34
CDYL2 Q8N8U2 1/20 0.34
CDYL Q9Y232 1/20 0.34
CDY1; CDY1B Q9Y6F8 1/20 0.34
PRKCA P17252 1/20 0.34
MMP12 P39900 1/20 0.34
LMNA P02545 2/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
SMO Q99835 2/20 0.33
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
EGLN1 Q9GZT9 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
SCHEMBL5198039 0.95 TP53 (0.40) TP53KCNH2HRH3SCN9ACBX7
SCHEMBL29532555 0.95 KCNH2 (0.37) KCNH2HRH3SCN9APRKCAMMP12
SCHEMBL5196593 0.95 KCNH2 (0.37) KCNH2HRH3SCN9APRKCAMMP12
SCHEMBL5220941 0.91 KCNH2 (0.37) TP53KCNH2HRH3SCN9APRKCA
SCHEMBL5218899 0.91 KCNH2 (0.39) TP53KCNH2HRH3SCN9APRKCA
SCHEMBL5222234 0.90 KCNH2 (0.37) TP53KCNH2HRH3SCN9APRKCA
SCHEMBL5934559 0.89 KCNH2 (0.37) KCNH2HRH3SCN9ABRD4CREBBP
SCHEMBL5198484 0.89 KCNH2 (0.37) TP53KCNH2HRH3SCN9ABRD4
SCHEMBL5934837 0.89 PRKCA (0.38) KCNH2HRH3GSK3BDYRK1ASCN9A
SCHEMBL4874701 0.88 TP53 (0.36) TP53KCNH2HRH3GSK3BDYRK1A

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-1844042-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2007-10-17 EP claimed
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 US claimed
WO-2006076529-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2006-07-20 WO claimed
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 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 (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-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses HAVCR2, ZC3HAV1, SARS1 TP53 1923/4885KCNH2 3202/4885HRH3 3113/4885

“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.