SCHEMBL1721762

SCHEMBL1721762

CC1(C)CNc2ccc(Cl)cc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.57
HTR2C P28335 2/20 0.57
PDE7A Q13946 1/20 0.38
AHR P35869 2/20 0.38
CMA1 P23946 1/20 0.38
IDO1 P14902 1/20 0.37
PGR P06401 2/20 0.37
CHEK1 O14757 1/20 0.37
LIMK1 P53667 1/20 0.37
AR P10275 1/20 0.36
CYP46A1 Q9Y6A2 1/20 0.36
AKR1B1 P15121 3/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TGM2 P21980 1/20 0.35
CES1 P23141 1/20 0.35
HTR3A P46098 2/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35

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
SCHEMBL15811809 0.85 HTR2A (0.49) HTR2AHTR2CPDE7AAHRCMA1
SCHEMBL19260277 0.81 HTR2A (0.50) HTR2AHTR2CPDE7AAHRCMA1
SCHEMBL24103467 0.79 HTR2A (0.47) HTR2AHTR2CPDE7AAHRCMA1
SCHEMBL1607884 0.78 CYP1A2 (0.41) HTR2AHTR2CARAKR1B1MEN1
SCHEMBL5540115 0.77 AR (0.36) HTR2AHTR2CARMEN1KMT2A
SCHEMBL2258910 0.77 CYP1A2 (0.40) HTR2AHTR2CPGRARAKR1B1
SCHEMBL12658843 0.77 KDM4E (0.49) HTR2AHTR2CARMEN1KMT2A
SCHEMBL16494210 0.77 MRGPRX2 (0.41) HTR2AHTR2CARDRD4
SCHEMBL21382173 0.77 PDE7A (0.41) HTR2AHTR2CPDE7AAHRCMA1
SCHEMBL2343653 0.77 GAA (0.39) HTR2AHTR2CAHRCMA1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2404922-B1 QUINOXALINE COMPOUNDS ASTELLAS PHARMA INC (JP) 2016-11-09 EP disclosed
WO-2016144792-A1 ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR ALLOSTERIC MODULATORS, THEIR DERIVATIVES AND USES THEREOF ALPHARMAGEN, LLC (US) 2016-09-15 WO disclosed
WO-2016144797-A1 ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR ALLOSTERIC MODULATORS, THEIR DERIVATIVES AND USES THEREOF ALPHARMAGEN, LLC (US) 2016-09-15 WO disclosed
US-8674096-B2 Substituted imidazo[1,5-a]quinoxalin-4-ones as phosphodiesterase 9 inhibitors ASTELLAS PHARMA INC. (JP) 2014-03-18 US disclosed
US-20130085134-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-04-04 US disclosed
US-8357688-B2 Substituted imidazo[1,5-a]quinoxalin-4(5H)-ones as PDE9 inhibitors ASTELLAS PHARMA INC. (JP) 2013-01-22 US disclosed
US-8357688-B2 Substituted imidazo[1,5-a]quinoxalin-4(5H)-ones as PDE9 inhibitors ASTELLAS PHARMA INC. (JP) 2013-01-22 US disclosed
EP-2404922-A1 QUINOXALINE COMPOUNDS Astellas Pharma Inc. (JP) 2012-01-11 EP disclosed
EP-2404922-A1 QUINOXALINE COMPOUNDS Astellas Pharma Inc. (JP) 2012-01-11 EP disclosed
US-20110319385-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-12-29 US disclosed
US-20110319385-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-12-29 US disclosed
WO-2010101230-A1 QUINOXALINE COMPOUNDS アステラス製薬株式会社 (JP) 2010-09-10 WO disclosed
US-5968725-A MATERIAL COMPRISING ON SUPPORT SILVER HALIDE PHOTOSENSITIVE LAYER CONTAINING ORGANIC SILVER SALT, REDUCING AGENT, ULTRAHIGH CONTRAST PROMOTING AGENT, SELECTED HETEROCYCLIC MERCAPTO COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1999-10-19 US disclosed
US-5236807-A Negative, hydrazine compound FUJI PHOTO FILM CO., LTD. (JP) 1993-08-17 US disclosed
US-4769316-A Method for restraining the formation of re-reversal negative image in direct positive silver halide photographic materials FUJI PHOTO FILM CO., LTD. (JP) 1988-09-06 US disclosed
US-4607006-A Silver halide photographic light-sensitive material containing non-spectral sensitizing electron donative silver halide adsorptive compound FUJI PHOTO FILM CO., LTD. (JP) 1986-08-19 US 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-20130085134-A1 QUINOXALINE COMPOUND PDE9A, PDE2A, PDE3A HTR2A 3820/4885HTR2C 4298/4885PDE7A 11/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A HTR2A 3684/4885HTR2C 4396/4885PDE7A 11/4885

“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.