SCHEMBL681658

SCHEMBL681658

CCCc1nn(C)c2c(=O)[nH]c(-c3cc(CN4CCN(C)CC4)ccc3OCC)nc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 18/20 0.71
PDE6C P51160 3/20 0.71
PDE3A Q14432 3/20 0.71
PDE1A P54750 2/20 0.71
PDE1B Q01064 2/20 0.71
PDE1C Q14123 2/20 0.71
PDE3B Q13370 2/20 0.71
PDE2A O00408 1/20 0.71
ABCC4 O15439 1/20 0.71
ABCC5 O15440 1/20 0.71
PDE6D O43924 1/20 0.71
PDE8A O60658 1/20 0.71
PDE9A O76083 1/20 0.71
ABCB11 O95342 1/20 0.71
CYP3A4 P08684 1/20 0.71
HTR1A P08908 1/20 0.71
PDE6A P16499 1/20 0.71
PDE6G P18545 1/20 0.71
PDE4A P27815 1/20 0.71
ADORA2A P29274 1/20 0.71

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
SCHEMBL15423769 0.97 PDE5A (0.68) PDE5APDE6CPDE3APDE1APDE1B
SCHEMBL7962791 0.94 PDE5A (0.64) PDE5APDE6CPDE3APDE1APDE1B
SCHEMBL17390180 0.92 PDE5A (0.72) PDE5APDE6CPDE3APDE1APDE1B
SCHEMBL16003659 0.89 PDE5A (0.70) PDE5APDE6CPDE3AHDAC6HDAC1
SCHEMBL17390127 0.88 PDE5A (0.75) PDE5APDE6CPDE3AHDAC6HDAC1
SCHEMBL8281603 0.88 PDE5A (0.55) PDE5APDE6CPDE3APDE1APDE1B
SCHEMBL17390135 0.88 PDE5A (0.64) PDE5APDE6CPDE3APDE3BHDAC6
SCHEMBL15071441 0.88 PDE5A (0.67) PDE5APDE6CPDE3APDE1APDE1B
SCHEMBL18715171 0.88 PDE5A (0.75) PDE5APDE6CPDE3APDE1APDE1B
SCHEMBL18592591 0.88 PDE5A (0.68) PDE5APDE6CPDE3APDE1APDE1B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9221825-B2 Pyrazolopyrimidinone compound and imidazo triazone compound for treating erectile dysfunction ZHEJIANG DADE PHARMACEUTICAL GROUP CO., LTD. (CN) 2015-12-29 US disclosed
US-20140018351-A1 Pyrazolopyrimidinone Compound and Imidazo Triazone Compound for Treating Erectile Dysfunction Zhejiang Date Pharmaceutical Group Co. Ltd (CN) 2014-01-16 US disclosed
US-20110048980-A1 Fatty Acid Oxidation Inhibitors Treating Hyperglycemia and Related Disorders SYMCOPEIA COMPANY (US) 2011-03-03 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 (2 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-20110048980-A1 Fatty Acid Oxidation Inhibitors Treating Hyperglycemia and Related Disorders PDE5A, ELOVL5, CPT1B PDE5A 1/4885PDE6C 32/4885PDE3A 11/4885
US-20140018351-A1 Pyrazolopyrimidinone Compound and Imidazo Triazone Compound for Treating Erectile Dysfunction PDE3A, PDE3B, PDE5A PDE5A 3/4885PDE6C 43/4885PDE3A 1/4885

“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.