Sugi Predict

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SCHEMBL2171073

SCHEMBL2171073

CCc1ccc2c(-c3ccc4c(c3)CC(=O)N4)ccc(OC)c2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3A Q14432 2/20 0.53
▸ PDE4B Q07343 2/20 0.53
▸ TDP2 O95551 2/20 0.44
▸ GRIA1 P42261 3/20 0.44
▸ CACNG8 Q8WXS5 2/20 0.44
▸ ABCB1 P08183 1/20 0.43
▸ PDE3B Q13370 1/20 0.42
▸ YAP1 P46937 1/20 0.41
▸ PLK1 P53350 2/20 0.40
▸ BRD4 O60885 2/20 0.39
▸ CRBN Q96SW2 1/20 0.39
▸ MET P08581 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ PDE4A P27815 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ CREBBP Q92793 1/20 0.38
▸ MAP3K11 Q16584 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
SCHEMBL2171777 0.91 PDE3A (0.52) PDE3APDE4BTDP2PDE3BCRBN
SCHEMBL2170525 0.80 GRIA1 (0.49) PDE3APDE4BTDP2GRIA1CACNG8
SCHEMBL2170605 0.76 PDE4B (0.53) PDE3APDE4BPDE4APDE4CPDE4D
SCHEMBL2170836 0.75 PDE4B (0.52) PDE3APDE4BPDE4APDE4CPDE4D
SCHEMBL2170590 0.75 PDE4B (0.52) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL1897771 0.72 TDP2 (0.75) PDE3ATDP2GRIA1CACNG8ABCB1
SCHEMBL2171190 0.71 CYP11B1 (0.51) PDE3APDE3BCRBNMETCYP1A2
SCHEMBL3122136 0.70 PDE4B (0.56) PDE3APDE4BPDE3BCYP1A2PDE4A
SCHEMBL2847415 0.69 PDE4B (1.00) PDE3APDE4BPDE4APDE4CPDE4D
SCHEMBL3118080 0.69 PDE3A (0.70) PDE3APDE4BPDE3BPDE4APDE4C

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 PDE3A 1/4885PDE4B 6/4885TDP2 131/4885

“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.