SCHEMBL7874354

SCHEMBL7874354

CN1C(=O)c2c(nn(C)c2Cc2ccccc2)N2C1=N[C@@H]1CCC[C@@H]12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 6/20 0.62
▸ PDE5A O76074 9/20 0.60
▸ PDE4B Q07343 3/20 0.60
▸ PDE4C Q08493 3/20 0.60
▸ PDE4D Q08499 3/20 0.60
▸ PDE2A O00408 1/20 0.56
▸ PDE8A O60658 1/20 0.56
▸ PDE3B Q13370 1/20 0.56
▸ PDE11A Q9HCR9 1/20 0.56
▸ PDE7B Q9NP56 1/20 0.56
▸ PDE10A Q9Y233 1/20 0.56

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
SCHEMBL8248711 0.83 PDE4A (0.78) PDE4APDE5APDE4BPDE4CPDE4D
SCHEMBL18380624 0.77 PDE4A (0.72) PDE4APDE5APDE2APDE8APDE3B
SCHEMBL4924402 0.77 PDE4A (0.72) PDE4APDE5APDE2APDE8APDE3B
SCHEMBL10201496 0.75 PDE5A (1.00) PDE4APDE5APDE4BPDE4CPDE4D
SCHEMBL7874805 0.74 PDE4A (0.57) PDE4APDE5APDE4BPDE4CPDE4D
SCHEMBL253643 0.74 PDE5A (1.00) PDE4APDE5APDE4BPDE4CPDE4D
SCHEMBL231701 0.74 PDE5A (1.00) PDE4APDE5APDE4BPDE4CPDE4D
SCHEMBL7440439 0.73 PDE5A (0.67) PDE4APDE5APDE4BPDE4CPDE4D
SCHEMBL193092 0.73 PDE5A (0.67) PDE4APDE5APDE4BPDE4CPDE4D
SCHEMBL193091 0.73 PDE5A (0.67) PDE4APDE5APDE4BPDE4CPDE4D

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11464781-B2 PDE1 inhibitors for ophthalmic disorders INTRA-CELLULAR THERAPIES, INC. (US) 2022-10-11 — — US disclosed
US-11166956-B2 Combinations of PDE1 inhibitors and NEP inhibitors INTRA-CELLULAR THERAPIES, INC. (US) 2021-11-09 — — US disclosed
US-20190275046-A1 NOVEL COMBINATION INTRA-CELLULAR THERAPIES, INC. (US) 2019-09-12 — — US disclosed
US-10285992-B2 Combinations of PDE1 inhibitors and NEP inhibitors and associated methods INTRA-CELLULAR THERAPIES, INC. (US) 2019-05-14 — — US disclosed
US-10238660-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2019-03-26 — — US disclosed
US-10010553-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2018-07-03 — — US disclosed
US-10010553-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2018-07-03 — — US disclosed
US-20160375028-A1 ORGANIC COMPOUNDS FIENBERG ALLEN A (US) 2016-12-29 — — US disclosed
US-9468637-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2016-10-18 — — US disclosed
US-9468637-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2016-10-18 — — US disclosed
US-20110312978-A1 PDE1 INHIBITORS FOR OPHTHALMIC DISORDERS INTRA-CELLULAR THERAPIES, INC. 2011-12-22 — — US disclosed
US-20110312978-A1 PDE1 INHIBITORS FOR OPHTHALMIC DISORDERS INTRA-CELLULAR THERAPIES, INC. 2011-12-22 — — US disclosed
US-20100323997-A1 NOVEL USES INTRACELLULAR THERAPIES, INC. (US) 2010-12-23 — — US disclosed
US-20100323997-A1 NOVEL USES INTRACELLULAR THERAPIES, INC. (US) 2010-12-23 — — US disclosed
WO-2010132127-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2010-11-18 — — WO disclosed
WO-2010098839-A1 PDE 1 INHIBITORS FOR OPHTHALMIC DISORDERS INTRA-CELLULAR THERAPIES, INC. (US) 2010-09-02 — — WO disclosed
US-20100087450-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2010-04-08 — — US disclosed
US-20100087450-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2010-04-08 — — US disclosed
WO-2008070095-A1 NOVEL USES INTRA-CELLULAR THERAPIES, INC. (US) 2008-06-12 — — WO disclosed
WO-2008063505-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2008-05-29 — — 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 (10 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-10285992-B2 Combinations of PDE1 inhibitors and NEP inhibitors and associated methods PDE5A, PDE3A, PDE2A PDE4A 8/4885PDE5A 1/4885PDE4B 22/4885
US-10010553-B2 Organic compounds PDE5A, PDE4A, PDE3A PDE4A 2/4885PDE5A 1/4885PDE4B 8/4885
US-20160375028-A1 ORGANIC COMPOUNDS PDE5A, PDE4A, PDE3A PDE4A 2/4885PDE5A 1/4885PDE4B 8/4885
US-20100087450-A1 ORGANIC COMPOUNDS PDE3A, PDE5A, PDE2A PDE4A 8/4885PDE5A 2/4885PDE4B 9/4885
US-20110312978-A1 PDE1 INHIBITORS FOR OPHTHALMIC DISORDERS PDE12, PDE5A, PDE3A PDE4A 6/4885PDE5A 2/4885PDE4B 12/4885
US-20100323997-A1 NOVEL USES PDE5A, PDE2A, PDE3A PDE4A 4/4885PDE5A 1/4885PDE4B 7/4885
US-10238660-B2 Organic compounds PDE5A, PDE4A, PDE3A PDE4A 2/4885PDE5A 1/4885PDE4B 8/4885
US-20190275046-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A PDE4A 9/4885PDE5A 1/4885PDE4B 24/4885
US-11464781-B2 PDE1 inhibitors for ophthalmic disorders PDE12, PDE5A, PDE3A PDE4A 6/4885PDE5A 2/4885PDE4B 12/4885
US-11166956-B2 Combinations of PDE1 inhibitors and NEP inhibitors PDE5A, ECE1, PDE3A PDE4A 10/4885PDE5A 1/4885PDE4B 25/4885

“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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