Sugi Predict

Sugi Predict / Compounds / SCHEMBL7909213

SCHEMBL7909213

SCHEMBL7909213

Cc1ccc2c(c1)CCN2C(=O)c1cc2[nH]c(=O)c3cnc(C4CCCOC4)n3c2cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 4/20 0.43
▸ PDE5A O76074 1/20 0.41
▸ POLB P06746 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ BRD4 O60885 2/20 0.36
▸ PDK1 Q15118 1/20 0.35
▸ PDK2 Q15119 1/20 0.35
▸ PDK3 Q15120 1/20 0.35
▸ PDK4 Q16654 1/20 0.35
▸ NOTUM Q6P988 1/20 0.35
▸ PDE1A P54750 2/20 0.34
▸ PDE1B Q01064 2/20 0.34
▸ PDE1C Q14123 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ TSHR P16473 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ CDK4 P11802 1/20 0.34
▸ CCND1 P24385 1/20 0.34
▸ HTT P42858 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
SCHEMBL7896957 0.95 PDE9A (0.41) PDE9APDE5APOLBALDH1A1SMN1; SMN2
SCHEMBL12044672 0.93 PDE9A (0.46) PDE9APDE5ANOTUMPDE1APDE1B
SCHEMBL1722606 0.93 PDE9A (0.42) PDE9APDE5AALDH1A1BRD4PDK1
SCHEMBL10186253 0.93 PDE9A (0.42) PDE9APDE5APOLBALDH1A1SMN1; SMN2
SCHEMBL7905610 0.91 PDE9A (0.44) PDE9APDE5APOLBALDH1A1SMN1; SMN2
SCHEMBL15103370 0.89 PDE9A (0.46) PDE9APDE5APDE1APDE1BPDE1C
SCHEMBL15103337 0.89 PDE9A (0.44) PDE9APDE5APDE1APDE1BPDE1C
SCHEMBL12044752 0.88 PDE9A (0.43) PDE9APDE5ANOTUMPDE1APDE1B
SCHEMBL7896964 0.88 PDE9A (0.40) PDE9APDE5ABRD4NOTUMPDE1A
SCHEMBL7900285 0.88 PDE9A (0.44) PDE9APDE5APOLBALDH1A1SMN1; SMN2

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 PDE9A 1/4885PDE5A 4/4885POLB 1816/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A PDE9A 1/4885PDE5A 2/4885POLB 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.