SCHEMBL6366229

SCHEMBL6366229

CC(C)Cc1nc2c(CC(C)C)n[nH]c2c(=O)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.46
▸ CCNE2 O96020 1/20 0.35
▸ CCNE1 P24864 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PDE5A O76074 1/20 0.31
▸ PDE9A O76083 1/20 0.31
▸ PDE1A P54750 1/20 0.31
▸ PDE1B Q01064 1/20 0.31
▸ PDE1C Q14123 1/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ ADORA2B P29275 1/20 0.31
▸ ADORA1 P30542 1/20 0.31
▸ PDE3B Q13370 1/20 0.31
▸ PDE3A Q14432 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MAPT P10636 1/20 0.31

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
SCHEMBL6366608 0.85 PDE9A (0.36) TSHRCCNE1CDK2MEN1KMT2A
SCHEMBL6373595 0.83 TSHR (0.45) TSHRCCNE2CCNE1CDK2GSK3B
SCHEMBL3493940 0.83 PDE9A (0.39) TSHRCCNE1CDK2PDE5APDE9A
SCHEMBL6373774 0.80 AR (0.46) MEN1KMT2APDE5APDE9APDE1A
SCHEMBL6366750 0.80 AR (0.43) TSHRMEN1KMT2APDE5APDE9A
SCHEMBL6367456 0.80 AR (0.43) CCNE2CCNE1CDK2MEN1KMT2A
SCHEMBL6371732 0.80 MEN1 (0.39) TSHRGSK3BMEN1KMT2APDE5A
SCHEMBL6365848 0.79 LMNA (0.49) TSHRCCNE2CCNE1CDK2MEN1
SCHEMBL6368296 0.79 MEN1 (0.52) MEN1KMT2APDE5APDE9APDE1A
SCHEMBL6366963 0.78 MEN1 (0.37) TSHRMEN1KMT2APDE5APDE9A

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 TSHR 945/4885CCNE2 4746/4885CCNE1 4833/4885

“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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