SCHEMBL2953597

SCHEMBL2953597

O=c1cc(CCc2ccccn2)cc[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
HRH3 Q9Y5N1 3/20 0.45
HRH4 Q9H3N8 2/20 0.45
GPR84 Q9NQS5 1/20 0.45
HRH1 P35367 2/20 0.43
NSD2 O96028 1/20 0.42
ABL1 P00519 1/20 0.42
PPARG P37231 1/20 0.42
RIN1 Q13671 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
DAO P14920 1/20 0.40

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
SCHEMBL16056880 0.91 HRH1 (0.47) CYP1A2CYP2D6HRH3HRH4GPR84
SCHEMBL1366587 0.78 L3MBTL1 (0.54) GPR84NSD2ABL1PPARGRIN1
SCHEMBL12042962 0.77 CYP1A2 (0.50) CYP1A2CYP2D6HRH3HRH4HRH1
SCHEMBL15769351 0.76 DAO (0.51) GPR84NSD2ABL1PPARGRIN1
SCHEMBL15768806 0.76 GPR84 (0.43) GPR84NSD2ABL1PPARGRIN1
SCHEMBL153303 0.74 NSD2 (0.63) CYP1A2CYP2D6NSD2ABL1PPARG
SCHEMBL230753 0.73 HRH1 (0.73) CYP1A2CYP2D6HRH3HRH4HRH1
SCHEMBL29485678 0.73 HRH1 (0.73) CYP1A2CYP2D6HRH3HRH4HRH1
SCHEMBL1760766 0.72 CYP1A2 (0.69) CYP1A2CYP2D6HRH3HRH4HRH1
SCHEMBL29572974 0.72 CYP1A2 (0.69) CYP1A2CYP2D6HRH3HRH4HRH1

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
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
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 CYP1A2 17/4885CYP2D6 16/4885HRH3 1753/4885

“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.