SCHEMBL5467118

SCHEMBL5467118

CCCc1nn(C)c2c(=S)[nH]c(-c3cc(S(=O)(=O)N4CC(C)NC(C)C4)ccc3OC)nc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 19/20 0.56
PDE3B Q13370 4/20 0.56
PDE3A Q14432 4/20 0.56
PDE2A O00408 1/20 0.56
ABCC4 O15439 1/20 0.56
ABCC5 O15440 1/20 0.56
PDE6D O43924 1/20 0.56
PDE8A O60658 1/20 0.56
PDE9A O76083 1/20 0.56
ABCB11 O95342 1/20 0.56
CYP3A4 P08684 1/20 0.56
HTR1A P08908 1/20 0.56
PDE6A P16499 1/20 0.56
PDE6G P18545 1/20 0.56
PDE4A P27815 1/20 0.56
ADORA2A P29274 1/20 0.56
ADORA1 P30542 1/20 0.56
ADRA1A P35348 1/20 0.56
PDE6B P35913 1/20 0.56
PDE6C P51160 1/20 0.56

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
SCHEMBL5467113 1.00 PDE5A (0.56) PDE5APDE3BPDE3APDE2AABCC4
SCHEMBL5450729 0.93 PDE5A (0.66) PDE5APDE3BPDE3APDE2AABCC4
SCHEMBL5450733 0.93 PDE5A (0.66) PDE5APDE3BPDE3APDE2AABCC4
SCHEMBL5452865 0.92 PDE5A (0.62) PDE5APDE3BPDE3APDE2AABCC4
SCHEMBL5452873 0.92 PDE5A (0.62) PDE5APDE3BPDE3APDE2AABCC4
SCHEMBL5449096 0.92 PDE5A (0.49) PDE5APDE3BPDE3APDE2AABCC4
SCHEMBL5449093 0.92 PDE5A (0.49) PDE5APDE3BPDE3APDE2AABCC4
SCHEMBL6715353 0.88 PDE5A (0.72) PDE5APDE3BPDE3APDE2AABCC4
SCHEMBL6715683 0.87 PDE5A (0.61) PDE5APDE3BPDE3APDE2AABCC4
SCHEMBL6716518 0.87 PDE5A (0.73) PDE5APDE3BPDE3APDE2AABCC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070219220-A1 Pyrazolopyrimidinethione Derivatives, Salts and Solvates Thereof, Preparation Methods and Use Thereof THE INSTITUTE OF RADIATION MEDICINE, ACADEMY OF MILITARY MEDICAL SCIENCES, PLA (CN) 2007-09-20 US claimed
EP-1695976-A1 PYRAZOLOPYRIMIDINETHIONE DERIVATIVES, SALTS AND SOLVATES THEREOF, PREPARATION METHODS AND USE THEREOF Institute of Radiation Medicine Academy of Military Medical Sciences of the Pla (CN) 2006-08-30 EP claimed
US-20070219220-A1 Pyrazolopyrimidinethione Derivatives, Salts and Solvates Thereof, Preparation Methods and Use Thereof THE INSTITUTE OF RADIATION MEDICINE, ACADEMY OF MILITARY MEDICAL SCIENCES, PLA (CN) 2007-09-20 US disclosed
EP-1695976-A1 PYRAZOLOPYRIMIDINETHIONE DERIVATIVES, SALTS AND SOLVATES THEREOF, PREPARATION METHODS AND USE THEREOF Institute of Radiation Medicine Academy of Military Medical Sciences of the Pla (CN) 2006-08-30 EP 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-20070219220-A1 Pyrazolopyrimidinethione Derivatives, Salts and Solvates Thereof, Preparation Methods and Use Thereof PDE5A, PDE3B, PDE3A PDE5A 1/4885PDE3B 2/4885PDE3A 3/4885

“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.