SCHEMBL17610088

SCHEMBL17610088

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

nearest known ligand 0.81

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDE1A P54750 7/20 0.81
▸ PDE4A P27815 12/20 0.56
▸ PDE1B Q01064 3/20 0.55
▸ PDE2A O00408 2/20 0.44
▸ PDE8A O60658 2/20 0.44
▸ PDE5A O76074 2/20 0.44
▸ PDE3B Q13370 2/20 0.44
▸ PDE11A Q9HCR9 2/20 0.44
▸ PDE7B Q9NP56 2/20 0.44
▸ PDE10A Q9Y233 2/20 0.44
▸ PDE9A O76083 1/20 0.44

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
SCHEMBL17508445 0.91 PDE1A (0.79) PDE1APDE4APDE1BPDE2APDE8A
SCHEMBL31571927 0.91 PDE1A (0.78) PDE1APDE4APDE1BPDE2APDE8A
SCHEMBL31571924 0.91 PDE1A (0.78) PDE1APDE4APDE1BPDE2APDE8A
SCHEMBL31571922 0.91 PDE1A (0.78) PDE1APDE4APDE1BPDE2APDE8A
SCHEMBL16036074 0.90 PDE1A (1.00) PDE1APDE4APDE1BPDE2APDE8A
SCHEMBL31571925 0.90 PDE1A (0.79) PDE1APDE4APDE1BPDE2APDE8A
SCHEMBL31571929 0.90 PDE1A (0.79) PDE1APDE4APDE1BPDE2APDE8A
SCHEMBL17508452 0.89 PDE1A (0.76) PDE1APDE4APDE1B
SCHEMBL16088170 0.89 PDE1A (0.86) PDE1APDE4APDE1BPDE2APDE8A
SCHEMBL16036012 0.89 PDE1A (1.00) PDE1APDE4APDE1BPDE2APDE8A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3725789-B1 7,8-DIHYDRO-[2H]-IMIDAZO-[1,2-A]PYRAZOLO[4,3-E]PYRIMIDIN-4(5H)-ONE DERIVATIVES AS PHOSPHODIESTERASE 1 (PDE1) INHIBITORS FOR TREATING DISEASES, DISORDERS OR INJURIES OF THE CENTRAL NERVOUS SYSTEM (CNS) INTRA CELLULAR THERAPIES INC (US) 2022-03-09 — — EP disclosed
CN-107106563-B Compounds and methods 细胞内治疗公司 2021-05-25 — — CN disclosed
EP-3193878-B1 7,8-DIHYDRO-[2H]-IMIDAZO-[1,2-A]PYRAZOLO[4,3-E]PYRIMIDIN-4(5H)-ONE DERIVATIVES AS PHOSPHODIESTERASE 1 (PDE1) INHIBITORS FOR TREATING DISEASES, DISORDERS OR INJURIES OF THE CENTRAL NERVOUS SYSTEM (CNS) INTRA CELLULAR THERAPIES INC (US) 2021-01-06 — — EP disclosed
EP-3725789-A1 7,8-DIHYDRO-[2H]-IMIDAZO-[1,2-A]PYRAZOLO[4,3-E]PYRIMIDIN-4(5H)-ONE DERIVATIVES AS PHOSPHODIESTERASE 1 (PDE1) INHIBITORS FOR TREATING DISEASES, DISORDERS OR INJURIES OF THE CENTRAL NERVOUS SYSTEM (CNS) Intra-Cellular Therapies, Inc. (US) 2020-10-21 — — EP disclosed
US-20190144460-A1 COMPOUNDS AND METHODS INTRA-CELLULAR THERAPIES, INC. (US) 2019-05-16 — — US disclosed
US-20190144460-A1 COMPOUNDS AND METHODS INTRA-CELLULAR THERAPIES, INC. (US) 2019-05-16 — — US disclosed
US-10150774-B2 Compounds and methods INTRA-CELLULAR THERAPIES, INC. (US) 2018-12-11 — — US disclosed
US-20170291904-A1 COMPOUNDS AND METHODS INTRA-CELLULAR THERAPIES, INC. 2017-10-12 — — US disclosed
US-20170291904-A1 COMPOUNDS AND METHODS INTRA-CELLULAR THERAPIES, INC. 2017-10-12 — — US disclosed
US-20170291904-A1 COMPOUNDS AND METHODS INTRA-CELLULAR THERAPIES, INC. 2017-10-12 — — US disclosed
EP-3193878-A1 COMPOUNDS AND METHODS Intra-Cellular Therapies, Inc. (US) 2017-07-26 — — EP disclosed
WO-2016044667-A1 COMPOUNDS AND METHODS INTRA-CELLULAR THERAPIES, INC. (US) 2016-03-24 — — 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 (3 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-10150774-B2 Compounds and methods BDNF, PYGB, SMPD1 PDE1A 26/4885PDE4A 30/4885PDE1B 31/4885
US-20170291904-A1 COMPOUNDS AND METHODS BDNF, PYGB, SMPD1 PDE1A 26/4885PDE4A 30/4885PDE1B 31/4885
US-20190144460-A1 COMPOUNDS AND METHODS BDNF, PYGB, SMPD1 PDE1A 26/4885PDE4A 30/4885PDE1B 31/4885

“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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