SCHEMBL2961954

SCHEMBL2961954

Ic1ccc2c(cnn2CCN2CCOCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC1 Q13547 1/20 0.49
MCHR1 Q99705 11/20 0.48
EGFR P00533 4/20 0.45
MET P08581 1/20 0.42
MCHR2 Q969V1 3/20 0.41
BACE1 P56817 1/20 0.39

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
SCHEMBL384710 0.89 MCHR1 (0.50) MCHR1MCHR2
SCHEMBL520824 0.83 HDAC3 (0.54) HDAC3HDAC2HDAC1MCHR1EGFR
SCHEMBL29804080 0.83 EGFR (0.56) HDAC3HDAC2HDAC1MCHR1EGFR
SCHEMBL14534661 0.83 MCHR1 (0.51) HDAC3HDAC2HDAC1MCHR1EGFR
SCHEMBL110445 0.83 EGFR (0.56) HDAC3HDAC2HDAC1MCHR1EGFR
SCHEMBL20859441 0.81 HDAC3 (0.50) HDAC3HDAC2HDAC1MCHR1EGFR
SCHEMBL14594169 0.81 MCHR1 (0.49) HDAC3HDAC2HDAC1MCHR1EGFR
SCHEMBL13483883 0.80 SIGMAR1 (0.48) HDAC3HDAC2HDAC1MCHR1EGFR
SCHEMBL30839556 0.80 P2RX7 (0.53) HDAC3HDAC2HDAC1MCHR1EGFR
SCHEMBL15681624 0.79 HDAC3 (0.61) HDAC3HDAC2HDAC1MCHR1MCHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268868-B2 5-pyridinone substituted indazoles ALBANY MOLECULAR RESEARCH, INC. (US) 2012-09-18 US disclosed
US-8268868-B2 5-pyridinone substituted indazoles ALBANY MOLECULAR RESEARCH, INC. (US) 2012-09-18 US disclosed
US-8268868-B2 5-pyridinone substituted indazoles ALBANY MOLECULAR RESEARCH, INC. (US) 2012-09-18 US disclosed
US-20100105679-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2010-04-29 US disclosed
US-20100105679-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2010-04-29 US disclosed
US-20100105679-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2010-04-29 US disclosed
CN-101679348-A 5-pyridone substituted indazoles AMR TECHNOLOGY INC 2010-03-24 CN disclosed
EP-2121654-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES Albany Molecular Research, Inc. (US) 2009-11-25 EP disclosed
WO-2008086404-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2008-07-17 WO disclosed
WO-2008086404-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2008-07-17 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-20100105679-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES CYP3A5, PDXK, PNPO HDAC3 932/4885HDAC2 1520/4885HDAC1 1202/4885

“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.