SCHEMBL6365678

SCHEMBL6365678

CC(C)Cc1nc2c(C3CCCC3)n[nH]c2c(=O)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.39
▸ ADORA1 P30542 3/20 0.35
▸ ADORA2A P29274 4/20 0.34
▸ ADORA2B P29275 4/20 0.34
▸ PDE9A O76083 6/20 0.34
▸ PDE1C Q14123 6/20 0.34
▸ PDE5A O76074 3/20 0.34
▸ PDE1A P54750 3/20 0.34
▸ PDE1B Q01064 3/20 0.34
▸ PDE3B Q13370 1/20 0.32
▸ PDE3A Q14432 1/20 0.32
▸ HTT P42858 1/20 0.31
▸ LMNA P02545 2/20 0.31
▸ CYP1A2 P05177 2/20 0.31
▸ ADORA3 P0DMS8 2/20 0.31
▸ PMP22 Q01453 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ GMNN O75496 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HIF1A Q16665 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
SCHEMBL6366291 0.89 PDE9A (0.46) TSHRADORA1ADORA2AADORA2BPDE9A
SCHEMBL6365300 0.83 ADORA1 (0.41) TSHRADORA1ADORA2AADORA2BPDE1C
SCHEMBL17604167 0.83 PRMT5 (0.36) TSHRADORA1ADORA2AADORA2BPDE1C
Hydrochloric Acid SCHEMBL17604355 0.82 PRMT5 (0.35) ADORA1ADORA2AADORA2BPDE1CPDE5A
SCHEMBL6366943 0.82 ADORA2A (0.38) ADORA1ADORA2AADORA2BPDE9APDE1C
SCHEMBL17604244 0.78 ADORA1 (0.35) TSHRADORA1ADORA2AADORA2BPDE9A
SCHEMBL6366219 0.76 ADORA1 (0.43) TSHRADORA1ADORA2AADORA2BPDE1C
SCHEMBL6366229 0.76 TSHR (0.46) TSHRADORA1ADORA2AADORA2BPDE9A
SCHEMBL17604146 0.76 ADORA1 (0.31) ADORA1ADORA2AADORA2BPDE1CPDE5A
SCHEMBL6366854 0.76 CCR2 (0.39) 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 TSHR 945/4885ADORA1 1339/4885ADORA2A 639/4885

“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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