SCHEMBL7907347

SCHEMBL7907347

Cc1cc2c(cc1C(=O)N1Cc3ccccc3C[C@H]1C(=O)NC(C)(C)C)[nH]c(=O)c1cnc(C3CCOCC3)n12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.47
PDE9A O76083 10/20 0.40
POLB P06746 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
PDE5A O76074 1/20 0.36
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
PABPC1 P11940 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 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
SCHEMBL7905278 0.89 PDE9A (0.43) SPRPDE9APDE5AMEN1MAPT
SCHEMBL7902967 0.85 PDE9A (0.42) PDE9APDE5A
SCHEMBL7904294 0.85 PDE9A (0.42) PDE9APDE5A
SCHEMBL1721345 0.84 PDE9A (0.47) PDE9APDE5A
SCHEMBL7896928 0.82 PDE9A (0.45) SPRPDE9APOLBCYP3A4CYP2C19
SCHEMBL7905991 0.81 PDE9A (0.49) PDE9APDE5A
SCHEMBL7908759 0.80 PDE9A (0.46) SPRPDE9ACYP3A4CYP2C19PDE5A
SCHEMBL7912528 0.79 PDE9A (0.44) SPRPDE9APDE5A
SCHEMBL12044186 0.78 PDE9A (0.44) SPRPDE9ACYP3A4PDE5A
SCHEMBL7907643 0.78 PDE9A (0.45) PDE9APDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 SPR 3000/4885PDE9A 1/4885POLB 1816/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A SPR 2335/4885PDE9A 1/4885POLB 3320/4885

“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.