SCHEMBL2806791

SCHEMBL2806791

CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NC(CC)CO)ccc3OCC)nc12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.77
PDE5A O76074 16/20 0.74
PDE2A O00408 2/20 0.72
PDE9A O76083 2/20 0.72
PDE4A P27815 2/20 0.72
PDE6C P51160 2/20 0.72
PDE1A P54750 2/20 0.72
PDE11A Q9HCR9 2/20 0.72
PDE10A Q9Y233 2/20 0.72
KMT2A Q03164 1/20 0.71
POLB P06746 1/20 0.69
ABCC5 O15440 2/20 0.66
PDE3B Q13370 2/20 0.66
PDE3A Q14432 2/20 0.66
ABCC4 O15439 1/20 0.66
PDE6D O43924 1/20 0.66
PDE8A O60658 1/20 0.66
ABCB11 O95342 1/20 0.66
CYP3A4 P08684 1/20 0.66
HTR1A P08908 1/20 0.66

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
SCHEMBL2803636 0.95 KDM4E (0.69) KDM4EPDE5APDE2APDE9APDE4A
SCHEMBL2799404 0.94 PDE5A (0.75) KDM4EPDE5APDE2APDE9APDE4A
SCHEMBL2801372 0.93 KDM4E (0.73) KDM4EPDE5APDE2APDE9APDE4A
SCHEMBL2800423 0.92 KDM4E (0.77) KDM4EPDE5APDE2APDE9APDE4A
SCHEMBL2801405 0.91 KDM4E (0.71) KDM4EPDE5APDE2APDE9APDE4A
SCHEMBL7094034 0.90 KDM4E (0.83) KDM4EPDE5APDE2APDE9APDE4A
SCHEMBL2801358 0.89 PDE5A (0.72) KDM4EPDE5APDE2APDE9APDE4A
SCHEMBL2799100 0.89 PDE5A (0.67) KDM4EPDE5APDE2APDE9APDE4A
SCHEMBL2801945 0.88 KDM4E (0.66) KDM4EPDE5APDE2APDE9APDE4A
SCHEMBL2801963 0.88 PDE5A (0.70) KDM4EPDE5APDE2APDE9APDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080318949-A1 Pyrazolopyrimidinone Derivatives, Their Preparation And Their Use TOPHARMAN SHANGHAI CO., LTD (CN) 2008-12-25 US claimed
EP-1961753-A1 PYRAZOLOPYRIMIDINONE DERIVATIVES, THEIR PREPARATION AND THEIR USE Topharman Shanghai Co., Ltd. (CN) 2008-08-27 EP claimed
EP-2253632-A1 Pyrazolopyramidinone derivatives, their preparation and their use Topharman Shanghai Co., Ltd. (CN) 2010-11-24 EP disclosed
US-20080318949-A1 Pyrazolopyrimidinone Derivatives, Their Preparation And Their Use TOPHARMAN SHANGHAI CO., LTD (CN) 2008-12-25 US disclosed
EP-1961753-A1 PYRAZOLOPYRIMIDINONE DERIVATIVES, THEIR PREPARATION AND THEIR USE Topharman Shanghai Co., Ltd. (CN) 2008-08-27 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-20080318949-A1 Pyrazolopyrimidinone Derivatives, Their Preparation And Their Use PDE5A, PDE3A, PDE3B KDM4E 776/4885PDE5A 1/4885PDE2A 5/4885

“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.