SCHEMBL7913667

SCHEMBL7913667

Cc1cc2[nH]c(=O)c3nnc(C4CCOCC4)n3c2cc1C(=O)N1CCc2cc(F)ccc21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.38
CYP3A4 P08684 1/20 0.38
AKT1 P31749 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
BRD4 O60885 1/20 0.38
NOTUM Q6P988 1/20 0.37
IDO1 P14902 1/20 0.36
CNR2 P34972 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL12045153 0.97 PIK3CB (0.38) PIK3CDCYP3A4AKT1PIK3CAPIK3CB
SCHEMBL7908028 0.92 ALDH1A1 (0.37) BRD4NOTUMALDH1A1CDK4CCND1
SCHEMBL7900332 0.91 TUBB4A (0.35) PIK3CDPIK3CBPDK1PDK2PDK3
SCHEMBL7900333 0.91 AVPR2 (0.39) PIK3CDCYP3A4AKT1PIK3CAPIK3CB
SCHEMBL7905096 0.91 AKT1 (0.37) AKT1
SCHEMBL7905279 0.90 BRD4 (0.39) PIK3CDCYP3A4AKT1PIK3CAPIK3CB
SCHEMBL12045108 0.90 L3MBTL1 (0.44) ALDH1A1L3MBTL1LMNA
SCHEMBL12044806 0.88 BRD4 (0.36) PIK3CDCYP3A4AKT1PIK3CAPIK3CB
SCHEMBL7899049 0.88
SCHEMBL7911628 0.88

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 PIK3CD 2112/4885CYP3A4 2775/4885AKT1 3387/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A PIK3CD 1352/4885CYP3A4 3950/4885AKT1 3269/4885

“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.