SCHEMBL6366219

SCHEMBL6366219

O=c1[nH]c(C2CCCC2)nc2c(C3CCCC3)n[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 3/20 0.43
▸ ADORA2B P29275 6/20 0.42
▸ ADORA2A P29274 5/20 0.42
▸ LMNA P02545 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ ADORA3 P0DMS8 2/20 0.41
▸ PMP22 Q01453 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MEN1 O00255 1/20 0.38
▸ GMNN O75496 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ DRD1 P21728 1/20 0.37
▸ DRD5 P21918 1/20 0.37
▸ PDE5A O76074 1/20 0.37
▸ PDE1A P54750 1/20 0.37

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
SCHEMBL6371058 0.80 ADORA1 (0.42) ADORA1ADORA2BADORA2ALMNACYP1A2
SCHEMBL17604167 0.80 PRMT5 (0.36) ADORA1ADORA2BADORA2ALMNACYP1A2
Hydrochloric Acid SCHEMBL17604355 0.79 PRMT5 (0.35) ADORA1ADORA2BADORA2APDE5APDE1A
SCHEMBL6366943 0.79 ADORA2A (0.38) ADORA1ADORA2BADORA2APDE5APDE1A
SCHEMBL6365300 0.77 ADORA1 (0.41) ADORA1ADORA2BADORA2ALMNACYP1A2
SCHEMBL6365678 0.76 TSHR (0.39) ADORA1ADORA2BADORA2ALMNACYP1A2
SCHEMBL6366291 0.74 PDE9A (0.46) ADORA1ADORA2BADORA2ALMNACYP1A2
SCHEMBL17604146 0.73 ADORA1 (0.31) ADORA1ADORA2BADORA2APDE5APDE1A
SCHEMBL17604244 0.73 ADORA1 (0.35) ADORA1ADORA2BADORA2ALMNACYP1A2
SCHEMBL6368262 0.71 CXCR2 (0.38) ADORA2BADORA2ATSHRPDE5APDE1A

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 ADORA1 1339/4885ADORA2B 950/4885ADORA2A 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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