SCHEMBL1937508

SCHEMBL1937508

CC(C)(C)N(C(=O)O)[C@H]1CC[C@H](Nc2cnc(C(N)=O)cn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.42
CCR6 P51684 3/20 0.39
CCR7 P32248 2/20 0.39
BACE1 P56817 1/20 0.36
KIT P10721 3/20 0.36
FLT3 P36888 3/20 0.36
SIRT6 Q8N6T7 2/20 0.35
MAPK8 P45983 3/20 0.35
PCSK9 Q8NBP7 1/20 0.35
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
MAPK9 P45984 1/20 0.35
GSK3B P49841 1/20 0.33
SYK P43405 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
SCHEMBL1937510 1.00 HCAR3 (0.42) HCAR3CCR6CCR7BACE1KIT
SCHEMBL1937694 0.84 HCAR3 (0.54) HCAR3CCR6SYK
SCHEMBL1937691 0.84 HCAR3 (0.54) HCAR3CCR6SYK
SCHEMBL15204516 0.80 HCAR3 (0.48) HCAR3CCR6SYK
SCHEMBL15204517 0.80 HCAR3 (0.48) HCAR3CCR6SYK
SCHEMBL15204853 0.80 HCAR3 (0.48) HCAR3CCR6SYK
SCHEMBL3628624 0.77 HCAR3 (0.50) HCAR3CCR6CCR7BACE1SIRT6
SCHEMBL3628627 0.77 HCAR3 (0.50) HCAR3CCR6CCR7BACE1SIRT6
SCHEMBL1936258 0.77 HCAR3 (0.49) HCAR3CCR6CCR7KITFLT3
SCHEMBL1936260 0.77 HCAR3 (0.49) HCAR3CCR6CCR7KITFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166161-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2011-07-07 US disclosed
EP-2331507-A2 HETEROCYCLIC CARBOXAMIDE COMPOUNDS Astellas Pharma Inc. (JP) 2011-06-15 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-20110166161-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS ROCK1, ROCK2, RHOT2 HCAR3 195/4885CCR6 3938/4885CCR7 4090/4885

“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.