SCHEMBL2959119

SCHEMBL2959119

COC(O)Cn1ncc2cc(I)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.44
HTR2C P28335 7/20 0.44
HTR2B P41595 4/20 0.39
HTR1A P08908 2/20 0.38
ADRA2A P08913 2/20 0.38
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38
HTR1D P28221 1/20 0.38
HTR7 P34969 1/20 0.38
HTR4 Q13639 1/20 0.38
KMO O15229 4/20 0.36
KCNH2 Q12809 1/20 0.35
MCHR1 Q99705 1/20 0.35
MAOB P27338 2/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
MAOA P21397 1/20 0.33
MAP2K1 Q02750 1/20 0.33
CHEK1 O14757 1/20 0.32
AURKA O14965 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
SCHEMBL384816 0.86 HTR2A (0.46) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL21057768 0.78 HTR2A (0.52) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL4479034 0.73 KMO (0.46) HTR2AHTR2CHTR2BKMOMAOB
SCHEMBL8007696 0.72 HTR2A (0.54) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL2443709 0.71 NPBWR1 (0.47) HTR2AHTR2CHTR2BMCHR1
SCHEMBL2967231 0.69 MCHR1 (0.58) KCNH2MCHR1
SCHEMBL6070319 0.69 HTR2A (0.49) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL2957492 0.69 HTR2A (0.46) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL21060650 0.69 GRIN1 (0.47)
SCHEMBL21104014 0.69 SMO (0.35) HTR2AHTR2CHTR2B

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
EP-2121654-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES Albany Molecular Research, Inc. (US) 2009-11-25 EP disclosed
WO-2009015037-A2 5-PYRIDINONE SUBSTITUTED INDAZOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2009-01-29 WO 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 HTR2A 428/4885HTR2C 104/4885HTR2B 403/4885

“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.