SCHEMBL471022

SCHEMBL471022

COCc1cc2c(cc1C(=O)N1CCc3cc(Br)cnc31)[nH]c(=O)c1nnc(C3CCC3)n12

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 4/20 0.37
PDE5A O76074 1/20 0.35
CYP11B2 P19099 8/20 0.33
OPRK1 P41145 8/20 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
SCHEMBL12045141 0.94 OPRK1 (0.34) PDE9APDE5ACYP11B2OPRK1
SCHEMBL15103377 0.93 PDE9A (0.38) PDE9APDE5ACYP11B2OPRK1
SCHEMBL12045164 0.89 PDE9A (0.37) PDE9APDE5AOPRK1
SCHEMBL15103282 0.88 TUBB4A (0.38) PDE9APDE5A
SCHEMBL15103219 0.87 CYP11B2 (0.33) CYP11B2
SCHEMBL10053886 0.86 CYP11B2 (0.36) PDE9APDE5ACYP11B2
SCHEMBL1721962 0.84 PDE9A (0.42) PDE9APDE5ACYP11B2OPRK1
SCHEMBL15103279 0.84 CYP11B2 (0.32) CYP11B2
SCHEMBL15103278 0.83 PDE9A (0.35) PDE9A
SCHEMBL7908729 0.83 PDE9A (0.38) PDE9APDE5ACYP11B2

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
US-8901126-B2 Substituted imidazo[1,5-A]quinoxalin-4-ones are useful for preventing or treating storage dysfunction, voiding dysfunction and bladder/urethral diseases ASTELLAS PHARMA INC. (JP) 2014-12-02 US disclosed
US-8901126-B2 Substituted imidazo[1,5-A]quinoxalin-4-ones are useful for preventing or treating storage dysfunction, voiding dysfunction and bladder/urethral diseases ASTELLAS PHARMA INC. (JP) 2014-12-02 US disclosed
US-8901126-B2 Substituted imidazo[1,5-A]quinoxalin-4-ones are useful for preventing or treating storage dysfunction, voiding dysfunction and bladder/urethral diseases ASTELLAS PHARMA INC. (JP) 2014-12-02 US disclosed
US-20130296329-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-11-07 US disclosed
US-20130296329-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-11-07 US disclosed
US-20130296329-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-11-07 US disclosed
EP-2615096-A1 QUINOXALINE COMPOUND Astellas Pharma Inc. (JP) 2013-07-17 EP disclosed
WO-2012033101-A1 QUINOXALINE COMPOUND アステラス製薬株式会社 (JP) 2012-03-15 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-20130296329-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE2A PDE9A 1/4885PDE5A 2/4885CYP11B2 3623/4885

“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.