SCHEMBL1721772

SCHEMBL1721772

COc1ccc(-c2nnc3c(=O)[nH]c4cc(C(=O)N5CCc6c(Cl)cccc6C5)ccc4n23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.43
CDK4 P11802 2/20 0.40
CCND1 P24385 2/20 0.40
MAPT P10636 6/20 0.39
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 3/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 2/20 0.39
DYRK1A Q13627 1/20 0.39
POLB P06746 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 3/20 0.37
KDM4E B2RXH2 2/20 0.37
G6PD P11413 1/20 0.37
PKM P14618 1/20 0.37
ALOX12 P18054 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL1722000 0.91 KDM4E (0.39) CDK4CCND1MAPTALDH1A1POLB
SCHEMBL7909018 0.82 GRIN2D (0.51) CDK4CCND1MAPTKMT2AMEN1
SCHEMBL7905932 0.79 TNKS (0.39) KMT2AALDH1A1POLBSMN1; SMN2HPGD
SCHEMBL7898849 0.77 KDM4E (0.51) MAPTKMT2AALDH1A1MEN1POLB
SCHEMBL1721668 0.76 ALDH1A1 (0.47) MAPTKMT2AALDH1A1MEN1POLB
SCHEMBL7905362 0.76 RAB9A (0.42) MAPTKMT2AALDH1A1MEN1LMNA
SCHEMBL7908762 0.75 PDE9A (0.54) DYRK1APOLBSMN1; SMN2HPGDKDM4E
SCHEMBL7904368 0.75 SPR (0.35) MAPTALDH1A1LMNAHPGDRAB9A
SCHEMBL1721897 0.74 PDE9A (0.40) ALDH1A1LMNAHPGD
SCHEMBL7906235 0.73 GRIN2D (0.52) MAPTALDH1A1LMNASMN1; SMN2HPGD

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 14 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
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-20130085134-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-04-04 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
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
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

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 HDAC6 270/4885CDK4 3088/4885CCND1 2931/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A HDAC6 331/4885CDK4 3548/4885CCND1 4013/4885

“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.