Sugi Predict

Sugi Predict / Compounds / SCHEMBL2172286

SCHEMBL2172286

SCHEMBL2172286

COc1ccc(-c2ccc3[nH]c(=O)ccc3c2)c2ccc(C)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS2 Q9H2K2 3/20 0.43
▸ CA12 O43570 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ OGT O15294 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TNKS O95271 2/20 0.37
▸ PARP1 P09874 2/20 0.37
▸ CYP19A1 P11511 1/20 0.36
▸ NQO2 P16083 1/20 0.36
▸ PDE3A Q14432 2/20 0.36
▸ PDE3B Q13370 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ F11 P03951 1/20 0.36
▸ TERT O14746 2/20 0.36
▸ PDE4B Q07343 3/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ PDE4A P27815 1/20 0.35
▸ PDE4C Q08493 1/20 0.35

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
SCHEMBL2170590 0.86 PDE4B (0.52) TNKS2CA12CA9LMNAOGT
SCHEMBL2172765 0.85 PDE4B (0.53) TNKS2LMNAOGTTP53MAPT
SCHEMBL2172288 0.84 GLO1 (0.43) TNKS2CA12CA9LMNAOGT
SCHEMBL2215379 0.82 LMNA (0.45) TNKS2CA12CA9LMNAOGT
SCHEMBL2172749 0.81 LMNA (0.44) TNKS2CA12CA9LMNAOGT
SCHEMBL2170674 0.81 LMNA (0.40) TNKS2CA12CA9LMNAOGT
SCHEMBL2173289 0.75 PDE4B (0.46) TNKS2CA12CA9LMNAOGT
SCHEMBL2170517 0.74 LMNA (0.39) TNKS2CA12CA9LMNAOGT
SCHEMBL1081684 0.74 TNKS2 (0.61) TNKS2CA12CA9LMNAOGT
SCHEMBL2215586 0.73 PDE3A (0.53) TNKS2CA12CA9LMNAOGT

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
EP-2348018-A1 HETEROCYCLIC BIARYL DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2011-07-27 — — EP 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
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 TNKS2 932/4885CA12 4710/4885CA9 1925/4885

“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.