SCHEMBL3597802

SCHEMBL3597802

Cc1c(C)c2c(=O)[nH]c3cc(C(F)(F)F)ccc3n2c1/C=C/C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.66
PDE9A O76083 2/20 0.66
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
CYP1A2 P05177 2/20 0.38
HSP90AA1 P07900 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
CYP2C19 P33261 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
KCNMA1 Q12791 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 4/20 0.36
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
PADI4 Q9UM07 2/20 0.33

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
SCHEMBL3597805 1.00 PDE5A (0.66) PDE5APDE9AMEN1KMT2AMAPT
SCHEMBL11997349 0.87 PDE5A (0.50) PDE5APDE9AMEN1KMT2AMAPT
SCHEMBL3586067 0.84 PDE5A (0.71) PDE5APDE9AMEN1KMT2AMAPT
SCHEMBL3590956 0.84 PDE5A (0.71) PDE5APDE9AMEN1KMT2AMAPT
SCHEMBL3586072 0.84 PDE5A (0.71) PDE5APDE9AMEN1KMT2AMAPT
SCHEMBL3590957 0.84 PDE5A (0.71) PDE5APDE9AMEN1KMT2AMAPT
SCHEMBL16226827 0.82 PDE9A (0.48) PDE5APDE9AMEN1KMT2AMAPT
SCHEMBL3496118 0.80 PDE5A (1.00) PDE5APDE9AMEN1KMT2AMAPT
SCHEMBL3496113 0.80 PDE5A (1.00) PDE5APDE9AMEN1KMT2AMAPT
SCHEMBL8554912 0.77 PDE5A (0.64) PDE5APDE9AMEN1KMT2AMAPT

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-2848620-B1 QUINOXALINE DERIVATIVES ASKA PHARM CO LTD (JP) 2016-09-28 EP disclosed
EP-2848620-A1 Quinoxaline derivatives ASKA Pharmaceutical Co., Ltd. (JP) 2015-03-18 EP disclosed
US-8829000-B2 Substituted imidazo[1,5-A]quinoxalines as phosphodiesterase 9 inhibitors ASKA PHARMACEUTICAL CO., LTD. (JP) 2014-09-09 US disclosed
US-20130225572-A1 Substituted Imidazo[1,5-A]Quinoxalines As a PDE9 Inhibitor OKADA MAKOTO (JP) 2013-08-29 US disclosed
US-8299080-B2 Substituted imidazo[1,5-A] quinoxalines as a PDE9 inhibitor ASKA PHARMACEUTICAL CO., LTD. (JP) 2012-10-30 US disclosed
EP-2489667-A1 Quinoxaline derivative ASKA Pharmaceutical Co., Ltd. (JP) 2012-08-22 EP disclosed
US-20100048556-A1 QUINOXALINE DERIVATIVES ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-02-25 US disclosed
EP-2103613-A1 QUINOXALINE DERIVATIVE ASKA Pharmaceutical Co., Ltd. (JP) 2009-09-23 EP 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-20130225572-A1 Substituted Imidazo[1,5-A]Quinoxalines As a PDE9 Inhibitor PDE9A, ADCY9, PDE3A PDE5A 6/4885PDE9A 1/4885MEN1 4005/4885
US-20100048556-A1 QUINOXALINE DERIVATIVES PDE9A, ADCY9, PRMT9 PDE5A 8/4885PDE9A 1/4885MEN1 4034/4885

“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.