SCHEMBL6418301

SCHEMBL6418301

CC(C)Cc1n[nH]c2c(=O)[nH]c(Cc3ccccc3OC(F)(F)F)nc12

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 5/20 0.64
▸ PDE1A P54750 5/20 0.64
▸ PDE1B Q01064 5/20 0.64
▸ PDE1C Q14123 5/20 0.64
▸ PDE5A O76074 2/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ AR P10275 2/20 0.37
▸ POLB P06746 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HCAR1 Q9BXC0 3/20 0.36
▸ PNP P00491 1/20 0.35
▸ SLC6A2 P23975 3/20 0.35
▸ SLC6A4 P31645 3/20 0.35
▸ CCNE2 O96020 1/20 0.33
▸ CCNE1 P24864 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CYP2D6 P10635 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32

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
SCHEMBL6367437 0.89 PDE9A (0.49) PDE9APDE1APDE1BPDE1CPDE5A
SCHEMBL6372442 0.87 PDE1A (0.51) PDE9APDE1APDE1BPDE1CPDE5A
SCHEMBL6366324 0.86 PDE9A (0.48) PDE9APDE1APDE1BPDE1CPDE5A
SCHEMBL6366940 0.86 AR (0.48) PDE9APDE1APDE1BPDE1CPDE5A
SCHEMBL3492432 0.86 PDE9A (0.73) PDE9APDE1APDE1BPDE1CPDE5A
SCHEMBL6367614 0.84 PDE9A (0.66) PDE9APDE1APDE1BPDE1CPDE5A
SCHEMBL6368296 0.84 MEN1 (0.52) PDE9APDE1APDE1BPDE1CPDE5A
SCHEMBL6373774 0.83 AR (0.46) PDE9APDE1APDE1BPDE1CPDE5A
SCHEMBL6365848 0.82 LMNA (0.49) PDE9APDE1APDE1BPDE1CPDE5A
SCHEMBL7039453 0.82 PDE9A (0.61) PDE9APDE1APDE1BPDE1CPDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6967204-B2 Treatment of insulin resistance syndrome and type 2 diabetes with PDE9 inhibitors PFIZER INC (US) 2005-11-22 — — US disclosed
US-20050070557-A1 Treatment of insulin resistance syndrome and type 2 diabetes with PDE9 inhibitors PFIZER INC 2005-03-31 — — US disclosed
EP-1444009-A1 TREATMENT OF INSULIN RESISTANCE SYNDROME AND TYPE 2 DIABETES WITH PDE9 INHIBITORS Pfizer Products Inc. (US) 2004-08-11 — — EP disclosed
US-20040023989-A1 Treatment of insulin resistance syndrome and type 2 diabetes with PDE9 inhibitors FRYBURG DAVID A (US) 2004-02-05 — — US disclosed
WO-2003037432-A1 TREATMENT OF INSULIN RESISTANCE SYNDROME AND TYPE 2 DIABETES WITH PDE9 INHIBITORS PFIZER PRODUCTS INC. (US) 2003-05-08 — — 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 (2 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-20050070557-A1 Treatment of insulin resistance syndrome and type 2 diabetes with PDE9 inhibitors GPR119, PDE2A, PDE9A PDE9A 3/4885PDE1A 46/4885PDE1B 39/4885
US-20040023989-A1 Treatment of insulin resistance syndrome and type 2 diabetes with PDE9 inhibitors GPR119, PDE2A, PDE9A PDE9A 3/4885PDE1A 46/4885PDE1B 39/4885

“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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