SCHEMBL772857

SCHEMBL772857

CN1C(=O)c2c(nn(Cc3ccc(-c4ccccn4)cc3)c2Nc2ccccc2)N2C1=N[C@@H]1CCC[C@@H]12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 1.00
PDE5A O76074 5/20 1.00
PDE3B Q13370 5/20 1.00
PDE11A Q9HCR9 5/20 1.00
PDE7B Q9NP56 5/20 1.00
PDE10A Q9Y233 5/20 1.00
PDE2A O00408 4/20 1.00
PDE8A O60658 4/20 1.00
PDE9A O76083 3/20 1.00
PDE1B Q01064 1/20 0.74
PDE4B Q07343 1/20 0.74
PDE4C Q08493 1/20 0.74
PDE4D Q08499 1/20 0.74

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
SCHEMBL16899893 1.00 PDE4A (1.00) PDE4APDE5APDE3BPDE11APDE7B
SCHEMBL4920045 0.98 PDE4A (0.97) PDE4APDE5APDE3BPDE11APDE7B
SCHEMBL19159222 0.98 PDE4A (0.95) PDE4APDE5APDE3BPDE11APDE7B
SCHEMBL10201367 0.92 PDE4A (0.86) PDE4APDE5APDE3BPDE11APDE7B
SCHEMBL773887 0.92 PDE4A (0.84) PDE4APDE5APDE3BPDE11APDE7B
SCHEMBL4920743 0.91 PDE4A (1.00) PDE4APDE5APDE3BPDE11APDE7B
SCHEMBL19134017 0.91 PDE4A (1.00) PDE4APDE5APDE3BPDE11APDE7B
SCHEMBL8046132 0.91 PDE4A (1.00) PDE4APDE5APDE3BPDE11APDE7B
SCHEMBL8245508 0.91 PDE4A (0.83) PDE4APDE5APDE3BPDE11APDE7B
SCHEMBL8046139 0.90 PDE4A (1.00) PDE4APDE5APDE3BPDE11APDE7B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3091983-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING A PDE-1 INHIBITOR AND A PDE-2 INHIBITOR INTRA CELLULAR THERAPIES INC (US) 2019-10-02 EP claimed
US-9849132-B2 Products and pharmaceutical compositions INTRA-CELLULAR THERAPIES, INC. (US) 2017-12-26 US claimed
US-9624230-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2017-04-18 US claimed
US-20160324860-A1 PRODUCTS AND PHARMACEUTICAL COMPOSITIONS INTRA-CELLULAR THERAPIES, INC. (US) 2016-11-10 US claimed
US-8273750-B2 7,8-dihydro-[1H or 2H]-imidazo[1,2-a]pyrazolo[4,3-e]pyrimidin-4(5H)-one or 7,8,9-trihydro-[1H or 2H]-pyrimido[1,2-a]pyrazolo[4,3-e]pyrimidin-4(5H)-one, substituted at the 1 or 2 position with C2-]alkyl, C3-9 cycloalkyl, heteroarylalkyl, or arylalkyl; phosphodiesterase 1 inhibitors; Parkinsons disease TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-09-25 US claimed
US-11839614-B2 Methods for treating or mitigating cardiotoxicity characterized by inhibition of adenosine A2 signaling and/or adenosine A2 receptor expression INTRA-CELLULAR THERAPIES, INC. (US) 2023-12-12 US disclosed
US-11839614-B2 Methods for treating or mitigating cardiotoxicity characterized by inhibition of adenosine A2 signaling and/or adenosine A2 receptor expression INTRA-CELLULAR THERAPIES, INC. (US) 2023-12-12 US disclosed
US-20230355625-A1 METHODS OF TREATMENT INTRA-CELLULAR THERAPIES, INC. 2023-11-09 US disclosed
US-20230355625-A1 METHODS OF TREATMENT INTRA-CELLULAR THERAPIES, INC. 2023-11-09 US disclosed
US-20230338385-A1 NOVEL USES INTRA-CELLULAR THERAPIES, INC. 2023-10-26 US disclosed
US-20230338385-A1 NOVEL USES INTRA-CELLULAR THERAPIES, INC. 2023-10-26 US disclosed
US-11759465-B2 Uses INTRA-CELLULAR THERAPIES, INC. (US) 2023-09-19 US disclosed
US-20100273754-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. 2010-10-28 US 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-2009075784-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2009-06-18 WO disclosed
US-20080188492-A1 7,8-dihydro-[1H or 2H]-imidazo[1,2-a]pyrazolo[4,3-e]pyrimidin-4(5H)-one or 7,8,9-trihydro-[1H or 2H]-pyrimido[1,2-a]pyrazolo[4,3-e]pyrimidin-4(5H)-one, substituted at the 1 or 2 position with C2-]alkyl, C3-9 cycloalkyl, heteroarylalkyl, or arylalkyl; phosphodiesterase 1 inhibitors; Parkinsons disease INTRA-CELLULAR THERAPIES, INC (US) 2008-08-07 US disclosed
US-20080188492-A1 7,8-dihydro-[1H or 2H]-imidazo[1,2-a]pyrazolo[4,3-e]pyrimidin-4(5H)-one or 7,8,9-trihydro-[1H or 2H]-pyrimido[1,2-a]pyrazolo[4,3-e]pyrimidin-4(5H)-one, substituted at the 1 or 2 position with C2-]alkyl, C3-9 cycloalkyl, heteroarylalkyl, or arylalkyl; phosphodiesterase 1 inhibitors; Parkinsons disease INTRA-CELLULAR THERAPIES, INC (US) 2008-08-07 US disclosed
WO-2006133261-A2 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2006-12-14 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-20230355625-A1 METHODS OF TREATMENT PDE1A, PDE1B, PDE7A PDE4A 4/4885PDE5A 11/4885PDE3B 18/4885
US-20100273754-A1 ORGANIC COMPOUNDS CYP2C9, CYP2C19, CYP3A7 PDE4A 734/4885PDE5A 406/4885PDE3B 165/4885
US-11839614-B2 Methods for treating or mitigating cardiotoxicity characterized by inhibition of adenosine A2 signaling and/or adenosine A2 receptor expression ADORA2A, ADORA1, ADORA2B PDE4A 17/4885PDE5A 26/4885PDE3B 32/4885
US-20100087450-A1 ORGANIC COMPOUNDS PDE3A, PDE5A, PDE2A PDE4A 8/4885PDE5A 2/4885PDE3B 4/4885
US-20080188492-A1 7,8-dihydro-[1H or 2H]-imidazo[1,2-a]pyrazolo[4,3-e]pyrimidin-4(5H)-one or 7,8,9-trihydro-[1H or 2H]-pyrimido[1,2-a]pyrazolo[4,3-e]pyrimidin-4(5H)-one, substituted at the 1 or 2 position with C2-]alkyl, C3-9 cycloalkyl, heteroarylalkyl, or arylalkyl; phosphodiesterase 1 inhibitors; Parkinsons disease PDE9A, PDE3A, PDE7A PDE4A 8/4885PDE5A 5/4885PDE3B 7/4885
US-20160324860-A1 PRODUCTS AND PHARMACEUTICAL COMPOSITIONS PDE2A, PDE3A, PDE5A PDE4A 6/4885PDE5A 3/4885PDE3B 4/4885
US-20230338385-A1 NOVEL USES ADORA2A, ATP2A1, ADORA2B PDE4A 11/4885PDE5A 14/4885PDE3B 21/4885
US-11759465-B2 Uses ADORA2A, ADORA2B, ADORA1 PDE4A 12/4885PDE5A 15/4885PDE3B 21/4885

“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.