SCHEMBL976914

SCHEMBL976914

CN1CCN(c2cccc(NC(=O)N3CCc4nc(C(N)=O)sc4C3c3ccccc3N)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.44
CASP7 P55210 1/20 0.44
CCNT1 O60563 1/20 0.41
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CDK9 P50750 1/20 0.41
CDK6 Q00534 1/20 0.41
CDK11A Q9UQ88 1/20 0.41
BTK Q06187 3/20 0.38
KDM1A O60341 1/20 0.38
RCOR1 Q9UKL0 1/20 0.38
BCHE P06276 1/20 0.37
CDK2 P24941 3/20 0.37
AURKA O14965 1/20 0.37
CCNA2 P20248 1/20 0.37
CCNA1 P78396 1/20 0.37
FLT3 P36888 2/20 0.37
ROCK2 O75116 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37

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
SCHEMBL976170 0.85 L3MBTL1 (0.45) CCNT1CDK4CCND1CDK9CDK6
SCHEMBL977409 0.85 LIMK1 (0.36) ROCK2
Hydrochloric Acid SCHEMBL979201 0.84 LIMK1 (0.36) ROCK2
SCHEMBL977839 0.83 NPC1 (0.39) HTR2A
SCHEMBL975341 0.82 TP53 (0.41)
SCHEMBL979157 0.82 TRPM8 (0.46) HTR2A
SCHEMBL976752 0.81 TRPM8 (0.47) HTR2A
SCHEMBL977977 0.81 LHCGR (0.38) HTR2A
SCHEMBL977879 0.80 LHCGR (0.44) HTR2A
SCHEMBL980003 0.80 MAPT (0.38) HTR2A

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-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 CASP3 1827/4885CASP7 985/4885CCNT1 1724/4885

“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.