Sugi Predict

Sugi Predict / Compounds / SCHEMBL2171957

SCHEMBL2171957

SCHEMBL2171957

COc1ccc(-c2ccc3cc[nH]c(=O)c3c2)c2cccnc12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GLO1 Q04760 1/20 0.43
▸ DYRK1A Q13627 2/20 0.42
▸ ACVR1 Q04771 3/20 0.41
▸ MAP3K11 Q16584 2/20 0.40
▸ CTSB P07858 1/20 0.40
▸ MAPK14 Q16539 2/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ BRD4 O60885 2/20 0.37
▸ LRRK2 Q5S007 1/20 0.37
▸ BRD9 Q9H8M2 1/20 0.37
▸ BRD7 Q9NPI1 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PDE4A P27815 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE4C Q08493 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ SYK P43405 1/20 0.37
▸ KIT P10721 1/20 0.37

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
SCHEMBL2170629 0.91 DYRK1A (0.44) GLO1DYRK1AACVR1MAP3K11CTSB
SCHEMBL2170616 0.81 BTK (0.42) DYRK1AACVR1PARP1KMT2APDE4A
SCHEMBL2170836 0.81 PDE4B (0.52) MAP3K11MAPK14PARP1KMT2APDE4A
SCHEMBL2172288 0.79 GLO1 (0.43) GLO1DYRK1ACTSBMAPK14PARP1
SCHEMBL15730876 0.76 PRMT5 (0.52) ACVR1MAPK14PARP1
SCHEMBL2235346 0.74 CYP11B2 (0.47) GLO1DYRK1ACTSBPDE4APDE4B
SCHEMBL15724372 0.74 ACVR1 (0.43) ACVR1MAPK14PARP1
SCHEMBL12566143 0.73 GLO1 (0.55) GLO1KMT2APDE4APDE4BPDE4C
SCHEMBL2170525 0.72 GRIA1 (0.49) GLO1BRD4PDE4APDE4BPDE4C
SCHEMBL2170605 0.72 PDE4B (0.53) MAP3K11PARP1KMT2APDE4APDE4B

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 2598/4885ACVR1 972/4885

“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.