SCHEMBL977590

SCHEMBL977590

CCN(C(=O)N1CCc2nc(C(=O)Nc3ccccc3N)sc2C1)c1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.42
F10 P00742 14/20 0.41
HDAC3 O15379 3/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC2 Q92769 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GRM5 P41594 1/20 0.37
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL978048 0.91 F10 (0.40) PIK3CGF10HDAC3HDAC1HDAC2
SCHEMBL977173 0.90 PIK3CG (0.43) PIK3CGF10HDAC3HDAC1HDAC2
SCHEMBL3703391 0.85 F10 (0.47) F10HDAC3HDAC1NPC1RAB9A
SCHEMBL977218 0.84 F10 (0.42) F10HDAC3HDAC1HDAC2HDAC6
SCHEMBL978295 0.83 F10 (0.41) F10HDAC1HDAC2NPC1RAB9A
SCHEMBL977761 0.82 F10 (0.47) F10HDAC3HDAC1NPC1RAB9A
SCHEMBL976751 0.81 PDGFRB (0.51) PIK3CGF10HDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL976357 0.80 PDGFRB (0.50) PIK3CGF10HDAC3HDAC1HDAC2
SCHEMBL975040 0.80 HDAC1 (0.49) F10HDAC3HDAC1HDAC2HDAC6
SCHEMBL979703 0.79 HDAC1 (0.43) PIK3CGF10HDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440830-B2 Tetrahydro-fused pyridines as histone deacetylase inhibitors 4SC AG (DE) 2013-05-14 US claimed
EP-2197552-B1 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2012-11-21 EP claimed
EP-2197552-A2 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2010-06-23 EP claimed
WO-2009037001-A2 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2009-03-26 WO claimed
US-8440830-B2 Tetrahydro-fused pyridines as histone deacetylase inhibitors 4SC AG (DE) 2013-05-14 US disclosed
EP-2197552-B1 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2012-11-21 EP disclosed
US-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2011-01-27 US disclosed
EP-2197552-A2 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2010-06-23 EP disclosed
WO-2009037001-A2 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2009-03-26 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-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC3 PIK3CG 1888/4885F10 2726/4885HDAC3 3/4885

“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.