SCHEMBL7899537

SCHEMBL7899537

Cc1cc2c(cc1C(=O)N1CCc3cc(Cl)ccc31)[nH]c(=O)c1nnc(C3CCC(F)(F)CC3)n12

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 4/20 0.38
SCN9A Q15858 2/20 0.37
AVPR1A P37288 3/20 0.37
NOTUM Q6P988 1/20 0.36
SCN5A Q14524 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
CDK4 P11802 2/20 0.34
CCND1 P24385 2/20 0.34
PDE9A O76083 1/20 0.32
PLAT P00750 1/20 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
SCHEMBL12044949 0.93 AVPR2 (0.40) AVPR2SCN9AAVPR1ANOTUMSCN5A
SCHEMBL1721972 0.92 BRD4 (0.37) NOTUMCDK4CCND1PLAT
SCHEMBL7902975 0.92 AVPR2 (0.43) AVPR2SCN9AAVPR1ANOTUMSCN5A
SCHEMBL7896968 0.92 AVPR2 (0.43) AVPR2SCN9AAVPR1ANOTUMSCN5A
Hydrochloric Acid SCHEMBL9979346 0.91 BRD4 (0.37) NOTUMCDK4CCND1PLAT
SCHEMBL7905987 0.91 AVPR2 (0.40) AVPR2SCN9AAVPR1ANOTUMSCN5A
SCHEMBL1723460 0.90 AVPR2 (0.40) AVPR2SCN9AAVPR1ANOTUMSCN5A
SCHEMBL12044951 0.90 AVPR2 (0.40) AVPR2SCN9AAVPR1ANOTUMSCN5A
SCHEMBL1723347 0.90 AVPR2 (0.40) AVPR2SCN9AAVPR1ANOTUMSCN5A
SCHEMBL12044758 0.90 AVPR2 (0.39) AVPR2SCN9AAVPR1ANOTUMSCN5A

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 7 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
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-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 AVPR2 1884/4885SCN9A 48/4885AVPR1A 3047/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A AVPR2 2324/4885SCN9A 77/4885AVPR1A 3253/4885

“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.