SCHEMBL978824

SCHEMBL978824

NC(=O)c1sc2c(c1-c1cc(F)ccc1N)CCN(C(=O)Nc1cccnc1)C2

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 5/20 0.47
PDGFRB P09619 1/20 0.41
GRIN2B Q13224 1/20 0.40
FAAH O00519 1/20 0.40
HTR2A P28223 3/20 0.38
HTR2C P28335 3/20 0.38
DGAT2 Q96PD7 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
PDE10A Q9Y233 1/20 0.38
CSNK1D P48730 1/20 0.38
TRPV1 Q8NER1 2/20 0.38
CDK5 Q00535 2/20 0.38
CDK5R1 Q15078 2/20 0.38
HDAC2 Q92769 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
SCHEMBL978143 0.90 CSNK1E (0.43) CSNK1EPDE10ACSNK1DTRPV1HDAC2
SCHEMBL979192 0.86 NAMPT (0.42) HDAC2
SCHEMBL978220 0.84 NPC1 (0.48) FAAHTRPV1
SCHEMBL976354 0.82 PDGFRB (0.45) CSNK1EPDGFRBGRIN2BFAAHHTR2C
SCHEMBL978152 0.80 HDAC1 (0.44) CSNK1EPDGFRBPDE10AHDAC2
SCHEMBL978005 0.79 PDE10A (0.41) CSNK1EFAAHDGAT2PDE10ACSNK1D
SCHEMBL978807 0.76 KDM4E (0.50) FAAHTRPV1
SCHEMBL976671 0.76 CSNK1E (0.43) CSNK1EPDGFRBFAAHHTR2AHTR2C
SCHEMBL978800 0.75 RECQL (0.41)
SCHEMBL976202 0.68 PDGFRB (0.47) PDGFRBHTR2AHTR2CHDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CSNK1E 426/4885PDGFRB 3522/4885GRIN2B 838/4885

“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.