SCHEMBL1639563

SCHEMBL1639563

CN1N=C(c2ccc3c(c2)CCN(C(=O)C(F)(F)F)CC3)CCC1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
ESR1 P03372 4/20 0.46
ESR2 Q92731 4/20 0.46
RAB9A P51151 1/20 0.44
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
HDAC6 Q9UBN7 1/20 0.39
ORAI1 Q96D31 1/20 0.37
MERTK Q12866 4/20 0.37
TYRO3 Q06418 3/20 0.37
AXL P30530 2/20 0.37
HRH3 Q9Y5N1 1/20 0.36
PARP1 P09874 1/20 0.36
PKM P14618 1/20 0.35
ABHD6 Q9BV23 3/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL1639554 0.85 ESR1 (0.44) PDE4APDE4BPDE4CPDE4DESR1
SCHEMBL1640646 0.80 CA12 (0.46) PDE4APDE4BPDE4CPDE4DESR1
SCHEMBL1639003 0.74 ESR1 (0.46) ESR1ESR2HDAC6HRH3
SCHEMBL373697 0.71 ESR2 (0.83) ESR1ESR2HDAC6ABHD6
SCHEMBL1787035 0.71 ESR1 (0.56) ESR1ESR2RAB9AHDAC6PKM
SCHEMBL4768506 0.71 DRD3 (0.50) ESR1ESR2HDAC6
SCHEMBL566629 0.70 ESR1 (0.58) ESR1ESR2HDAC6PKMABHD6
SCHEMBL1787936 0.70 ABHD6 (0.60) ESR1ESR2RAB9AHDAC6PKM
SCHEMBL7849236 0.70 ESR2 (0.58) ESR1ESR2HDAC6MERTKTYRO3
SCHEMBL27176737 0.70 ESR1 (0.58) ESR1ESR2HDAC6PKMABHD6

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
EP-2328586-A2 SUBSTITUTED PYRIDAZINONE DERIVATIVES AS HISTAMINE-3 (H3) RECEPTOR LIGANDS Cephalon, Inc. (US) 2011-06-08 EP disclosed
US-20110098269-A1 Substituted Pyridazinone Derivatives as Histamine-3 (H3) Receptor Ligands CEPHALON, INC. (US) 2011-04-28 US disclosed
US-20110098269-A1 Substituted Pyridazinone Derivatives as Histamine-3 (H3) Receptor Ligands CEPHALON, INC. (US) 2011-04-28 US disclosed
US-20110098269-A1 Substituted Pyridazinone Derivatives as Histamine-3 (H3) Receptor Ligands CEPHALON, INC. (US) 2011-04-28 US disclosed
WO-2009142732-A2 SUBSTITUTED PYRIDAZINONE DERIVATIVES AS HISTAMINE-3 (H3) RECEPTOR LIGANDS CEPHALON, INC. (US) 2009-11-26 WO disclosed
WO-2009142732-A2 SUBSTITUTED PYRIDAZINONE DERIVATIVES AS HISTAMINE-3 (H3) RECEPTOR LIGANDS CEPHALON, INC. (US) 2009-11-26 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-20110098269-A1 Substituted Pyridazinone Derivatives as Histamine-3 (H3) Receptor Ligands HRH3, HRH4, HRH2 PDE4A 756/4885PDE4B 858/4885PDE4C 1331/4885

“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.