SCHEMBL17508449

SCHEMBL17508449

CN1C(=O)c2c(nn(Cc3ccc(-c4cccc(O)n4)cc3)c2Nc2ccc(F)cc2)N2CC(C)(C)N=C12

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE1A P54750 7/20 0.72
▸ PDE1B Q01064 4/20 0.60
▸ PDE4A P27815 13/20 0.54
▸ PDE2A O00408 1/20 0.51
▸ PDE8A O60658 1/20 0.51
▸ PDE5A O76074 1/20 0.51
▸ PDE9A O76083 1/20 0.51
▸ PDE4B Q07343 1/20 0.51
▸ PDE4C Q08493 1/20 0.51
▸ PDE4D Q08499 1/20 0.51
▸ PDE3B Q13370 1/20 0.51
▸ PDE11A Q9HCR9 1/20 0.51
▸ PDE7B Q9NP56 1/20 0.51
▸ PDE10A Q9Y233 1/20 0.51

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
SCHEMBL17508448 0.93 PDE1A (0.72) PDE1APDE1BPDE4APDE2APDE8A
SCHEMBL26233377 0.92 PDE1A (0.71) PDE1APDE1BPDE4APDE2APDE8A
SCHEMBL17610031 0.88 PDE1A (0.72) PDE1APDE1BPDE4APDE2APDE8A
SCHEMBL17610088 0.85 PDE1A (0.81) PDE1APDE1BPDE4APDE2APDE8A
SCHEMBL26905231 0.84 PDE1A (0.80) PDE1APDE1BPDE4APDE2APDE8A
SCHEMBL17508439 0.84 PDE1A (0.64) PDE1APDE1BPDE4A
SCHEMBL31571929 0.84 PDE1A (0.79) PDE1APDE1BPDE4APDE2APDE8A
SCHEMBL31571925 0.84 PDE1A (0.79) PDE1APDE1BPDE4APDE2APDE8A
SCHEMBL16036074 0.84 PDE1A (1.00) PDE1APDE1BPDE4APDE2APDE8A
SCHEMBL17508445 0.83 PDE1A (0.79) PDE1APDE1BPDE4APDE2APDE8A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20230355625-A1 METHODS OF TREATMENT INTRA-CELLULAR THERAPIES, INC. 2023-11-09 — — US disclosed
US-11759465-B2 Uses INTRA-CELLULAR THERAPIES, INC. (US) 2023-09-19 — — US disclosed
US-20220354851-A1 METHODS OF TREATMENT INTRA-CELLULAR THERAPIES, INC. 2022-11-10 — — US disclosed
US-20220280517-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2022-09-08 — — US disclosed
US-20210369715-A1 NOVEL USES INTRA-CELLULAR THERAPIES, INC. 2021-12-02 — — US disclosed
US-20210338679-A1 NOVEL USES INTRA-CELLULAR THERAPIES, INC. (US) 2021-11-04 — — US disclosed
US-20200289519-A1 NOVEL USES INTRA-CELLULAR THERAPIES, INC. 2020-09-17 — — US disclosed
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 (8 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
US-20230355625-A1 METHODS OF TREATMENT PDE1A, PDE1B, PDE7A PDE1A 1/4885PDE1B 2/4885PDE4A 4/4885
US-20210338679-A1 NOVEL USES PDE2A, PDE7A, PDE4A PDE1A 4/4885PDE1B 12/4885PDE4A 3/4885
US-20200289519-A1 NOVEL USES ADORA2A, ATP2A1, ADORA2B PDE1A 8/4885PDE1B 13/4885PDE4A 11/4885
US-20220280517-A1 ORGANIC COMPOUNDS PDE3A, PDE3B, PDE2A PDE1A 53/4885PDE1B 43/4885PDE4A 11/4885
US-20220354851-A1 METHODS OF TREATMENT PDE3A, PDE2A, PDE5A PDE1A 14/4885PDE1B 20/4885PDE4A 5/4885
US-20210369715-A1 NOVEL USES PDE2A, PDE7A, PDE4A PDE1A 4/4885PDE1B 12/4885PDE4A 3/4885
US-11759465-B2 Uses ADORA2A, ADORA2B, ADORA1 PDE1A 9/4885PDE1B 16/4885PDE4A 12/4885

“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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