SCHEMBL1936258

SCHEMBL1936258

NC(=O)c1cnc(N[C@H]2CC[C@H](N)CC2)cn1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.49
KIT P10721 2/20 0.45
FLT3 P36888 2/20 0.45
ROCK2 O75116 2/20 0.43
SMYD3 Q9H7B4 2/20 0.41
SIRT6 Q8N6T7 1/20 0.41
CCR7 P32248 1/20 0.41
CCR6 P51684 1/20 0.41
GSK3B P49841 1/20 0.40
PIM1 P11309 2/20 0.39
PIM2 Q9P1W9 2/20 0.39
PCSK9 Q8NBP7 1/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
ROCK1 Q13464 1/20 0.39
CCNT1 O60563 1/20 0.39
TYK2 P29597 1/20 0.38

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
SCHEMBL1936260 1.00 HCAR3 (0.49) HCAR3KITFLT3ROCK2SMYD3
SCHEMBL3628624 0.85 HCAR3 (0.50) HCAR3SMYD3SIRT6CCR7CCR6
SCHEMBL3628627 0.85 HCAR3 (0.50) HCAR3SMYD3SIRT6CCR7CCR6
SCHEMBL29944834 0.84 HDAC3 (0.46) HCAR3SIRT6CCR7CCR6
SCHEMBL2817349 0.84 HDAC3 (0.46) HCAR3SIRT6CCR7CCR6
SCHEMBL1937459 0.79 HCAR3 (0.65) HCAR3KITFLT3ROCK2CCR6
SCHEMBL1937458 0.79 HCAR3 (0.65) HCAR3KITFLT3ROCK2CCR6
Fumaric Acid SCHEMBL30856933 0.77 HCAR3 (0.42) HCAR3FLT3CCR7CCR6
SCHEMBL1937508 0.77 HCAR3 (0.42) HCAR3KITFLT3SIRT6CCR7
SCHEMBL1937510 0.77 HCAR3 (0.42) HCAR3KITFLT3SIRT6CCR7

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 5 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
US-20110166161-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2011-07-07 US disclosed
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
WO-2010032875-A2 HETEROCYCLIC CARBOXAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2010-03-25 WO 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 195/4885KIT 2208/4885FLT3 261/4885

“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.