SCHEMBL3065897

SCHEMBL3065897

N#Cc1ccnc(N2CCC(c3nc(C(N)=O)cs3)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.46
MALT1 Q9UDY8 1/20 0.45
USP30 Q70CQ3 1/20 0.44
LCAT P04180 1/20 0.43
HCRTR1 O43613 10/20 0.42
HCRTR2 O43614 10/20 0.42
CHRM4 P08173 1/20 0.41
PANK3 Q9H999 1/20 0.41
DPP4 P27487 1/20 0.41
PDE4D Q08499 1/20 0.40
AOC3 Q16853 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL4956150 0.76 PRKAA2 (0.52) DPP4THRB
SCHEMBL3064433 0.75 PARP1 (0.46) LCAT
SCHEMBL2139666 0.74 NFKB1 (0.69) MALT1HCRTR1HCRTR2CHRM4
SCHEMBL1990732 0.74 MALT1 (0.59) HRH3MALT1USP30LCATHCRTR1
SCHEMBL20064100 0.73 HRH3 (0.51) HRH3MALT1USP30LCATHCRTR1
SCHEMBL7718659 0.72 MYC (0.47)
SCHEMBL12467241 0.72 HTR2B (0.42) HRH3AOC3
SCHEMBL3063005 0.72 SPR (0.39) HRH3
SCHEMBL28020356 0.72 SPR (0.44) HRH3
Hydrochloric Acid SCHEMBL3288531 0.72 HRH3 (0.50) HRH3MALT1USP30LCATHCRTR1

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-20100267717-A1 Novel Heterocyclic NF-kB Inhibitors 4SC AG (DE) 2010-10-21 US disclosed
US-20090304632-A1 HETEROCYCLIC NF-kB INHIBITORS 4SC AG (DE) 2009-12-10 US disclosed
US-20080241100-A1 PHARMACEUTICAL COMPOSITION COMPRISING A CYTOKINE 4SC AG (DE) 2008-10-02 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 (3 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-20100267717-A1 Novel Heterocyclic NF-kB Inhibitors NFKB2, NFKBIA, NFRKB HRH3 130/4885MALT1 1601/4885USP30 2835/4885
US-20080241100-A1 PHARMACEUTICAL COMPOSITION COMPRISING A CYTOKINE IL2, IL17A, IFNG HRH3 312/4885MALT1 3226/4885USP30 3472/4885
US-20090304632-A1 HETEROCYCLIC NF-kB INHIBITORS NFKBIA, NFKB2, IKBKB HRH3 116/4885MALT1 686/4885USP30 2424/4885

“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.