SCHEMBL6368268

SCHEMBL6368268

CC(C)c1n[nH]c2c(=O)[nH]c(CC3CCCCC3)nc12

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 11/20 0.42
▸ PDE1C Q14123 5/20 0.42
▸ PNP P00491 1/20 0.42
▸ PDE5A O76074 2/20 0.41
▸ PDE1A P54750 1/20 0.41
▸ PDE1B Q01064 1/20 0.41
▸ ADORA2A P29274 2/20 0.40
▸ ADORA2B P29275 2/20 0.40
▸ ADORA1 P30542 1/20 0.39
▸ CDC7 O00311 1/20 0.38
▸ CCNE1 P24864 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ DBF4 Q9UBU7 1/20 0.38

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
SCHEMBL6366662 0.99 PDE9A (0.42) PDE9APDE1CPNPPDE5APDE1A
SCHEMBL6365341 0.89 PDE9A (0.39) PDE9APDE1CPNPPDE5APDE1A
SCHEMBL6367335 0.88 PDE9A (0.36) PDE9APDE1CPNPPDE5APDE1A
SCHEMBL6756705 0.84 PDE9A (0.46) PDE9APDE1CPNPPDE5APDE1A
SCHEMBL6690047 0.84 PDE9A (0.46) PDE9APDE1CPNPPDE5APDE1A
SCHEMBL3493940 0.81 PDE9A (0.39) PDE9APDE1CPNPPDE5APDE1A
SCHEMBL6373585 0.78 ADORA3 (0.41) PDE9APDE1CPNPPDE5APDE1A
SCHEMBL6373595 0.77 TSHR (0.45) PDE9APDE1CPDE5APDE1APDE1B
SCHEMBL6371058 0.76 ADORA1 (0.42) ADORA2AADORA2BADORA1
SCHEMBL6692160 0.76 PDE9A (0.58) PDE9APDE1CPDE5APDE1APDE1B

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 3/4885PDE1C 41/4885PNP 809/4885

“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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