SCHEMBL9906378

SCHEMBL9906378

CC(C)c1cnc(C2CCN(CC3CC3)CC2)s1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 3/20 0.40
TLR8 Q9NR97 3/20 0.40
TLR7 Q9NYK1 3/20 0.40
HTR4 Q13639 2/20 0.35
KDM2B Q8NHM5 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAP4K4 O95819 1/20 0.34
GCK P35557 1/20 0.34
MAP4K3 Q8IVH8 1/20 0.34
MAP4K1 Q92918 1/20 0.34
MAP4K5 Q9Y4K4 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL9906377 0.84 TLR9 (0.40) TLR9TLR8TLR7MAP4K4GCK
SCHEMBL14314255 0.81 TLR9 (0.38) TLR9TLR8TLR7MEN1KMT2A
SCHEMBL9906379 0.81 MLYCD (0.36) TLR9TLR8TLR7
SCHEMBL17480649 0.80 CDK2 (0.39) TLR9TLR8TLR7
SCHEMBL9906382 0.80 TLR9 (0.36) TLR9TLR8TLR7HTR4
SCHEMBL23137881 0.77 CCNE1 (0.37) MAP4K3KMT2A
SCHEMBL23136937 0.77 CCNE1 (0.37) TLR9TLR8TLR7MAP4K3
SCHEMBL9906380 0.76 MAP3K12 (0.36) TLR9TLR8TLR7HTR4KDM2B
SCHEMBL23137885 0.76 CCNE1 (0.36) MAP4K3KMT2A
SCHEMBL21872198 0.76 CCNE1 (0.36) MAP4K3KMT2A

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-8198308-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
US-20110059938-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-10 US disclosed
US-20080182837-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-31 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 (2 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-20110059938-A1 NEW CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 TLR9 4403/4885TLR8 4767/4885TLR7 3658/4885
US-20080182837-A1 NEW CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 TLR9 4403/4885TLR8 4767/4885TLR7 3658/4885

“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.