SCHEMBL977973

SCHEMBL977973

Cn1c(C(=O)Nc2ccccc2N)cc2c1CCN(C(=O)Nc1cccnc1)C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.49
HDAC1 Q13547 3/20 0.45
HDAC2 Q92769 3/20 0.45
HDAC3 O15379 2/20 0.45
HTR2C P28335 6/20 0.44
HTR2A P28223 4/20 0.44
NAMPT P43490 2/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
TP53 P04637 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
PKM P14618 2/20 0.43
THPO P40225 2/20 0.43
HIF1A Q16665 2/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
KDM1A O60341 1/20 0.43
RCOR1 Q9UKL0 1/20 0.43

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
SCHEMBL977811 0.94 PDGFRB (0.47) PDGFRBHDAC1HDAC2HDAC3HTR2C
SCHEMBL13822842 0.81 HDAC1 (0.45) HDAC1HDAC2HDAC3NPC1RAB9A
SCHEMBL976352 0.81 KDM1A (0.52) PDGFRBHDAC1HDAC2HDAC3HTR2C
SCHEMBL975723 0.81 PDGFRB (0.51) PDGFRBHDAC1HDAC2HDAC3HTR2C
SCHEMBL976805 0.81 NAMPT (0.52) HDAC1HDAC2NAMPTNPC1RAB9A
SCHEMBL975724 0.80 PDGFRB (0.49) PDGFRBHTR2CHTR2ANPC1RAB9A
SCHEMBL976202 0.79 PDGFRB (0.47) PDGFRBHDAC1HDAC2HDAC3HTR2C
SCHEMBL975548 0.79 PDGFRB (0.49) PDGFRBHDAC1HDAC2HDAC3HTR2C
SCHEMBL976751 0.76 PDGFRB (0.51) PDGFRBHDAC1HDAC2HDAC3NAMPT
Hydrochloric Acid SCHEMBL976357 0.75 PDGFRB (0.50) PDGFRBHDAC1HDAC2HDAC3NAMPT

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 6 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
US-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2011-01-27 US 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

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 PDGFRB 3522/4885HDAC1 1/4885HDAC2 6/4885

“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.