SCHEMBL2172288

SCHEMBL2172288

COc1ccc(-c2ccc3[nH]c(=O)ccc3c2)c2cccnc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 1/20 0.43
DYRK1A Q13627 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
OGT O15294 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
TNKS2 Q9H2K2 4/20 0.40
CTSB P07858 1/20 0.40
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
SYK P43405 1/20 0.38
BRD4 O60885 1/20 0.38
BRD9 Q9H8M2 1/20 0.38
BRD7 Q9NPI1 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38

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
SCHEMBL2172749 0.86 LMNA (0.44) LOXL2OGTLMNATP53MAPT
SCHEMBL2170674 0.85 LMNA (0.40) OGTLMNATP53MAPTTNKS2
SCHEMBL2172286 0.84 TNKS2 (0.43) OGTLMNATP53MAPTTNKS2
SCHEMBL2170590 0.81 PDE4B (0.52) OGTLMNATP53MAPTTNKS2
SCHEMBL2172765 0.81 PDE4B (0.53) OGTLMNATP53MAPTTNKS2
SCHEMBL2215379 0.80 LMNA (0.45) OGTLMNATP53MAPTTNKS2
SCHEMBL2171957 0.79 GLO1 (0.43) GLO1DYRK1ACTSBSYKBRD4
SCHEMBL2170629 0.79 DYRK1A (0.44) GLO1DYRK1ACTSBSYKBRD4
SCHEMBL2235346 0.78 CYP11B2 (0.47) GLO1DYRK1ACTSBPDE4APDE4B
SCHEMBL1081684 0.76 TNKS2 (0.61) OGTLMNATP53MAPTTNKS2

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 GLO1 619/4885DYRK1A 2598/4885LOXL2 1345/4885

“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.