SCHEMBL1722019

SCHEMBL1722019

COCCNC(=O)c1ccc2[nH]c(=O)c3nnc(-c4ccccc4)n3c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.54
ALDH1A1 P00352 4/20 0.54
HPGD P15428 3/20 0.54
MAPT P10636 2/20 0.54
POLB P06746 1/20 0.54
G6PD P11413 1/20 0.54
PKM P14618 1/20 0.54
ALOX12 P18054 1/20 0.54
HKDC1 Q2TB90 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
PDE2A O00408 8/20 0.52
GAA P10253 3/20 0.47
GLA P06280 2/20 0.47
HSD17B10 Q99714 2/20 0.47
ITK Q08881 2/20 0.47
FGFR1 P11362 1/20 0.43
PDGFRA P16234 1/20 0.43
FLT1 P17948 1/20 0.43
KDR P35968 1/20 0.43
ACSS2 Q9NR19 1/20 0.42

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
SCHEMBL1721656 0.85 ALDH1A1 (0.61) KDM4EALDH1A1HPGDMAPTPOLB
SCHEMBL3600500 0.85 ITK (0.47) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL1723378 0.83 KDM4E (0.52) KDM4EALDH1A1HPGDMAPTPOLB
SCHEMBL3586904 0.81 KDM4E (0.68) KDM4EALDH1A1HPGDMAPTPOLB
SCHEMBL3602252 0.81 PDE2A (0.65) KDM4EALDH1A1HPGDMAPTPOLB
SCHEMBL1721719 0.79 KDM4E (0.61) KDM4EALDH1A1HPGDMAPTPOLB
SCHEMBL1722018 0.79 ALDH1A1 (0.45) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL1721959 0.78 KDM4E (0.57) KDM4EALDH1A1HPGDMAPTPOLB
SCHEMBL7907652 0.75 KDM4E (0.62) KDM4EALDH1A1HPGDMAPTPOLB
SCHEMBL1722474 0.75 POLB (0.56) KDM4EALDH1A1HPGDMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2404922-A1 QUINOXALINE COMPOUNDS Astellas Pharma Inc. (JP) 2012-01-11 EP claimed
US-20110319385-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-12-29 US claimed
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-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
US-20110319385-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-12-29 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 KDM4E 1337/4885ALDH1A1 387/4885HPGD 85/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A KDM4E 641/4885ALDH1A1 1344/4885HPGD 382/4885

“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.