SCHEMBL6366943

SCHEMBL6366943

O=c1[nH]c(CC2CC2)nc2c(C3CCCC3)n[nH]c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 3/20 0.38
▸ ADORA2B P29275 3/20 0.38
▸ ADORA1 P30542 2/20 0.38
▸ PDE9A O76083 4/20 0.38
▸ PNP P00491 1/20 0.36
▸ PDE1C Q14123 3/20 0.35
▸ CDC7 O00311 1/20 0.35
▸ CCNE1 P24864 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ DBF4 Q9UBU7 1/20 0.35
▸ PDE5A O76074 6/20 0.35
▸ PDE1A P54750 2/20 0.35
▸ PDE1B Q01064 2/20 0.35
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33

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
SCHEMBL17604167 0.85 PRMT5 (0.36) ADORA2AADORA2BADORA1PNPPDE1C
Hydrochloric Acid SCHEMBL17604355 0.84 PRMT5 (0.35) ADORA2AADORA2BADORA1PNPPDE1C
SCHEMBL6365300 0.83 ADORA1 (0.41) ADORA2AADORA2BADORA1PDE1CPDE5A
SCHEMBL6365678 0.82 TSHR (0.39) ADORA2AADORA2BADORA1PDE9APDE1C
SCHEMBL6366291 0.79 PDE9A (0.46) ADORA2AADORA2BADORA1PDE9APDE1C
SCHEMBL6366219 0.79 ADORA1 (0.43) ADORA2AADORA2BADORA1PDE1CPDE5A
SCHEMBL17604244 0.78 ADORA1 (0.35) ADORA2AADORA2BADORA1PDE9APDE1C
SCHEMBL17604146 0.78 ADORA1 (0.31) ADORA2AADORA2BADORA1PDE1CPDE5A
SCHEMBL6366662 0.76 PDE9A (0.42) ADORA2AADORA2BADORA1PDE9APNP
SCHEMBL6367367 0.76 CXCR2 (0.32) ADORA1PDE1CPDE5APDE1APDE1B

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 ADORA2A 639/4885ADORA2B 950/4885ADORA1 1339/4885

“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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