Sugi Predict

Sugi Predict / Compounds / SCHEMBL7908028

SCHEMBL7908028

SCHEMBL7908028

Cc1ccc2c(c1)CCN2C(=O)c1cc2c(cc1C)[nH]c(=O)c1nnc(C3CCOCC3)n12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.37
▸ BRD4 O60885 2/20 0.37
▸ NOTUM Q6P988 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CDK4 P11802 2/20 0.35
▸ CCND1 P24385 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PDK1 Q15118 1/20 0.35
▸ PDK2 Q15119 1/20 0.35
▸ PDK3 Q15120 1/20 0.35
▸ PDK4 Q16654 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ CHRM2 P08172 1/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ CHRM5 P08912 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ GAA P10253 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
SCHEMBL7909220 0.92 BRD4 (0.36) ALDH1A1BRD4NOTUMNPSR1CDK4
SCHEMBL7900332 0.92 TUBB4A (0.35) PDK1PDK2PDK3PDK4L3MBTL1
SCHEMBL7913667 0.92 PIK3CD (0.38) ALDH1A1BRD4NOTUMCDK4CCND1
SCHEMBL7900333 0.92 AVPR2 (0.39) NOTUMCDK4CCND1L3MBTL1
SCHEMBL12045108 0.91 L3MBTL1 (0.44) ALDH1A1NPSR1SMN1; SMN2L3MBTL1TSHR
SCHEMBL10053884 0.89 TUBB4A (0.35) PDK1PDK2PDK3PDK4L3MBTL1
SCHEMBL12045153 0.89 PIK3CB (0.38) ALDH1A1BRD4NOTUMCDK4CCND1
SCHEMBL12044758 0.89 AVPR2 (0.39) NOTUMCDK4CCND1L3MBTL1
SCHEMBL7905096 0.89 AKT1 (0.37) —
SCHEMBL7905896 0.88 NOTUM (0.37) NOTUML3MBTL1

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 ALDH1A1 387/4885BRD4 1715/4885NOTUM 1035/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A ALDH1A1 1344/4885BRD4 1518/4885NOTUM 606/4885

“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.