SCHEMBL384816

SCHEMBL384816

COC(Cn1ncc2cc(I)ccc21)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.46
HTR2C P28335 7/20 0.46
HTR2B P41595 4/20 0.41
HTR1A P08908 2/20 0.37
ADRA2A P08913 2/20 0.37
ADRA2B P18089 2/20 0.37
ADRA2C P18825 2/20 0.37
HTR1D P28221 1/20 0.37
HTR7 P34969 1/20 0.37
HTR4 Q13639 1/20 0.37
MAOB P27338 2/20 0.35
CHRM2 P08172 3/20 0.35
CHRM1 P11229 3/20 0.35
KMO O15229 3/20 0.34
GLS O94925 1/20 0.33
MAOA P21397 1/20 0.32
KCNH2 Q12809 1/20 0.32
MCHR1 Q99705 1/20 0.32
QPCT Q16769 1/20 0.32
QPCTL Q9NXS2 1/20 0.32

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
SCHEMBL2959119 0.86 HTR2A (0.44) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL6070319 0.82 HTR2A (0.49) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL2957492 0.82 HTR2A (0.46) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL21057768 0.80 HTR2A (0.52) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL6069607 0.77 GLS (0.61) HTR2AHTR2CHTR2BMAOBGLS
SCHEMBL6069662 0.73 HTR2A (0.53) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL2443709 0.73 NPBWR1 (0.47) HTR2AHTR2CHTR2BMCHR1QPCT
SCHEMBL4479034 0.72 KMO (0.46) HTR2AHTR2CHTR2BMAOBKMO
SCHEMBL20539513 0.72 HTR2A (0.37) HTR2AHTR2CHTR2BCHRM2CHRM1
SCHEMBL2966563 0.72 MCHR1 (0.52) KCNH2MCHR1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101687879-B 5-furopyridinone substituted indazoles ALBANY MOLECULAR RES INC 2013-01-02 CN disclosed
US-8273770-B2 5-pyridinone substituted indazoles ALBANY MOLECULAR RESEARCH, INC. (US) 2012-09-25 US disclosed
US-8273770-B2 5-pyridinone substituted indazoles ALBANY MOLECULAR RESEARCH, INC. (US) 2012-09-25 US disclosed
US-8273770-B2 5-pyridinone substituted indazoles ALBANY MOLECULAR RESEARCH, INC. (US) 2012-09-25 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-8268868-B2 5-pyridinone substituted indazoles ALBANY MOLECULAR RESEARCH, INC. (US) 2012-09-18 US disclosed
EP-2176251-B1 5-pyridinone substituted indazoles and pharmaceutical compositions thereof ALBANY MOLECULAR RES INC (US) 2012-02-08 EP disclosed
US-8101632-B2 5-furopyridinone substituted indazoles ALBANY MOLECULAR RESEARCH, INC. (US) 2012-01-24 US disclosed
US-8101632-B2 5-furopyridinone substituted indazoles ALBANY MOLECULAR RESEARCH, INC. (US) 2012-01-24 US disclosed
EP-2176251-A2 5-PYRIDINONE SUBSTITUTED INDAZOLES Albany Molecular Research, Inc. (US) 2010-04-21 EP disclosed
US-20090318439-A1 5-FUROPYRIDINONE SUBSTITUTED INDAZOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2009-12-24 US disclosed
US-20090318439-A1 5-FUROPYRIDINONE SUBSTITUTED INDAZOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2009-12-24 US disclosed
US-20090318439-A1 5-FUROPYRIDINONE SUBSTITUTED INDAZOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2009-12-24 US disclosed
US-20090082359-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES AMR TECHNOLOGY, INC. (US) 2009-03-26 US disclosed
US-20090082359-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES AMR TECHNOLOGY, INC. (US) 2009-03-26 US disclosed
US-20090082359-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES AMR TECHNOLOGY, INC. (US) 2009-03-26 US disclosed
WO-2009015037-A2 5-PYRIDINONE SUBSTITUTED INDAZOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2009-01-29 WO disclosed
WO-2008086409-A1 5-FUROPYRIDINONE 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 (2 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-20090082359-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES CYP3A5, PNPO, NDUFS3 HTR2A 1261/4885HTR2C 499/4885HTR2B 402/4885
US-20090318439-A1 5-FUROPYRIDINONE SUBSTITUTED INDAZOLES MCHR1, PRMT5, PRMT1 HTR2A 119/4885HTR2C 56/4885HTR2B 127/4885

“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.