SCHEMBL2215586

SCHEMBL2215586

COc1ccc(-c2ccc3[nH]c(=O)ccc3c2)c2sc(C(F)(F)F)nc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 9/20 0.53
PDE4B Q07343 8/20 0.53
MAPT P10636 3/20 0.38
LMNA P02545 3/20 0.38
OGT O15294 1/20 0.38
TP53 P04637 1/20 0.38
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
HPGD P15428 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
AR P10275 2/20 0.35
TNKS2 Q9H2K2 2/20 0.34
TNKS O95271 1/20 0.34
PARP2 Q9UGN5 1/20 0.34

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
SCHEMBL2173289 0.81 PDE4B (0.46) PDE3APDE4BMAPTLMNAOGT
SCHEMBL7937337 0.79 PDE3A (0.53) PDE3APDE4BMAPTLMNAOGT
SCHEMBL2172765 0.78 PDE4B (0.53) PDE3APDE4BMAPTLMNAOGT
SCHEMBL2170943 0.77 PDE4B (0.53) PDE3APDE4BMAPTLMNAOGT
SCHEMBL2172749 0.77 LMNA (0.44) PDE3APDE4BMAPTLMNAOGT
SCHEMBL3121107 0.75 PDE4B (0.58) PDE3APDE4BMAPTLMNATP53
SCHEMBL3120268 0.75 PDE4B (0.55) PDE3APDE4BMAPTLMNAHPGD
SCHEMBL2172288 0.73 GLO1 (0.43) PDE3APDE4BMAPTLMNAOGT
SCHEMBL2172286 0.73 TNKS2 (0.43) PDE3APDE4BMAPTLMNAOGT
SCHEMBL2170674 0.72 LMNA (0.40) PDE3AMAPTLMNAOGTTP53

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-20110178041-A1 HETEROCYCLIC BIARYL DERIVATIVE AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-07-21 US disclosed
US-20110178041-A1 HETEROCYCLIC BIARYL DERIVATIVE AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-07-21 US disclosed
US-20110178041-A1 HETEROCYCLIC BIARYL DERIVATIVE AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-07-21 US disclosed
WO-2010035745-A1 HETEROCYCLIC BIARYL DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT 杏林製薬株式会社 (JP) 2010-04-01 WO 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-20110178041-A1 HETEROCYCLIC BIARYL DERIVATIVE AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT PDE3A, PDE2A, PDE3B PDE3A 1/4885PDE4B 6/4885MAPT 4548/4885

“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.