SCHEMBL17508453

SCHEMBL17508453

CCc1c2c(nn1Cc1ccc(-c3cccc(O)n3)cc1)N1CC(C)(C)N=C1N(C)C2=O

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDE1A P54750 9/20 0.65
▸ PDE1B Q01064 4/20 0.65
▸ PDE4A P27815 10/20 0.44
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39

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
SCHEMBL19447761 0.91 PDE1A (0.66) PDE1APDE1BPDE4APDE4BPDE4C
SCHEMBL17508443 0.90 PDE1A (0.79) PDE1APDE1BPDE4A
SCHEMBL17508439 0.90 PDE1A (0.64) PDE1APDE1BPDE4A
SCHEMBL19447765 0.84 PDE1A (0.64) PDE1APDE1BPDE4A
SCHEMBL17610009 0.84 PDE1A (0.77) PDE1APDE1BPDE4A
SCHEMBL17508449 0.83 PDE1A (0.72) PDE1APDE1BPDE4APDE4BPDE4C
SCHEMBL19447762 0.82 PDE1A (0.66) PDE1APDE1BPDE4APDE4BPDE4C
SCHEMBL17610016 0.82 PDE1A (0.79) PDE1APDE1BPDE4A
SCHEMBL14158337 0.80 PDE1A (0.80) PDE1APDE1BPDE4A
SCHEMBL17508441 0.80 PDE1A (0.79) PDE1APDE1BPDE4A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3177627-B1 IMIDAZO[1,2-A]-PYRAZOLO[4,3-E]-PYRIMIDIN-4-ONE DERIVATIVES WITH PDE1 INHIBITING ACTIVITY INTRA CELLULAR THERAPIES INC (US) 2019-07-24 — — EP claimed
EP-3177627-A1 ORGANIC COMPOUNDS Intra-Cellular Therapies, Inc. (US) 2017-06-14 — — EP claimed
WO-2016022893-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2016-02-11 — — WO claimed
EP-3177627-B1 IMIDAZO[1,2-A]-PYRAZOLO[4,3-E]-PYRIMIDIN-4-ONE DERIVATIVES WITH PDE1 INHIBITING ACTIVITY INTRA CELLULAR THERAPIES INC (US) 2019-07-24 — — EP disclosed
US-20170226117-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. 2017-08-10 — — US disclosed
US-20170226117-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. 2017-08-10 — — US disclosed
EP-3177627-A1 ORGANIC COMPOUNDS Intra-Cellular Therapies, Inc. (US) 2017-06-14 — — EP disclosed
WO-2016022893-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2016-02-11 — — WO disclosed
WO-2016022893-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2016-02-11 — — 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 (1 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-20170226117-A1 ORGANIC COMPOUNDS PRKG1, PDE2A, PDE3B PDE1A 107/4885PDE1B 114/4885PDE4A 8/4885

“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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