SCHEMBL7899137

SCHEMBL7899137

c1cc(-c2cc3c([nH]2)CCNC3)ccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKN2 Q16513 5/20 1.00
▸ CDC7 O00311 11/20 0.54
▸ PKN1 Q16512 3/20 0.54
▸ MAPKAPK2 P49137 3/20 0.54
▸ CDK9 P50750 2/20 0.54
▸ ROCK2 O75116 2/20 0.54
▸ CDK2 P24941 2/20 0.54
▸ GSK3B P49841 2/20 0.54
▸ HIPK2 Q9H2X6 2/20 0.54
▸ CLK4 Q9HAZ1 2/20 0.54
▸ IRAK4 Q9NWZ3 2/20 0.54
▸ PLK4 O00444 1/20 0.54
▸ MAPK13 O15264 1/20 0.54
▸ DAPK3 O43293 1/20 0.54
▸ DYRK3 O43781 1/20 0.54
▸ RPS6KA5 O75582 1/20 0.54
▸ RPS6KA4 O75676 1/20 0.54
▸ PRKD3 O94806 1/20 0.54
▸ CHEK2 O96017 1/20 0.54
▸ CDK1 P06493 1/20 0.54

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
Hydrochloric Acid SCHEMBL16486113 0.82 PKN2 (0.69) PKN2MAPKAPK2CDK9CDK1MAPKAPK3
SCHEMBL16486295 0.81 PKN2 (0.68) PKN2MAPKAPK2GSK3BCDK1GSK3A
SCHEMBL16492261 0.77 PKN2 (0.62) PKN2CDC7PKN1MAPKAPK2CDK9
SCHEMBL16492153 0.77 PKN2 (0.62) PKN2CDC7PKN1MAPKAPK2CDK9
Hydrochloric Acid SCHEMBL17783202 0.76 PKN2 (0.60) PKN2CDC7PKN1MAPKAPK2CDK9
Hydrochloric Acid SCHEMBL17783263 0.76 PKN2 (0.60) PKN2CDC7PKN1MAPKAPK2CDK9
SCHEMBL16492184 0.71 PKN2 (0.54) PKN2MAPKAPK2CDK9
SCHEMBL16492217 0.71 PKN2 (0.55) PKN2PIM3
SCHEMBL30833275 0.70 PKN2 (0.54) PKN2CHRNB2CHRNA4
SCHEMBL1009138 0.70 PKN2 (0.54) PKN2CHRNB2CHRNA4

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 PKN2 1756/4885CDC7 1085/4885PKN1 1175/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A PKN2 1112/4885CDC7 1074/4885PKN1 525/4885

“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.

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