SCHEMBL4063852

SCHEMBL4063852

N#Cc1ccc(-c2cnc3nc(C4CCCCC4)[nH]c3c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 16/20 0.70
HRH3 Q9Y5N1 2/20 0.44
KCNH2 Q12809 1/20 0.44
RIPK1 Q13546 1/20 0.42

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
SCHEMBL4062469 0.84 USP30 (0.63) USP30
SCHEMBL13608182 0.81 RIPK1 (0.48) USP30HRH3KCNH2RIPK1
SCHEMBL4058274 0.79 USP30 (0.46) USP30
SCHEMBL4054282 0.77 USP30 (0.52) USP30HRH3KCNH2RIPK1
SCHEMBL4051508 0.74 USP30 (0.47) USP30
SCHEMBL4054509 0.74 USP30 (0.47) USP30
SCHEMBL4059431 0.74 ADORA1 (0.50) USP30HRH3
SCHEMBL4058457 0.74 ADORA1 (0.49) USP30
SCHEMBL28441193 0.73 USP30 (0.46) USP30
SCHEMBL4061915 0.73 USP30 (0.46) USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-20050101647-A1 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 US disclosed
EP-1460067-A1 BICYCLIC DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-09-22 EP 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-20050101647-A1 Bicyclic derivative, its production and use ABL1, SRC, PTK2B USP30 2997/4885HRH3 1429/4885KCNH2 1131/4885

“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.