Sugi Predict

Sugi Predict / Compounds / SCHEMBL2171777

SCHEMBL2171777

SCHEMBL2171777

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3A Q14432 4/20 0.52
▸ PDE4B Q07343 1/20 0.52
▸ CYP11B1 P15538 5/20 0.46
▸ CYP11B2 P19099 5/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2C9 P11712 2/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2B6 P20813 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ MAPT P10636 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ MMP12 P39900 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ CYP19A1 P11511 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL2171073 0.91 PDE3A (0.53) PDE3APDE4BCYP11B1CYP11B2CYP1A2
SCHEMBL2171190 0.81 CYP11B1 (0.51) PDE3ACYP11B1CYP11B2CYP1A2CYP2C9
SCHEMBL12479305 0.76 CYP11B1 (0.47) PDE3APDE4BCYP11B1CYP11B2CYP1A2
SCHEMBL2170605 0.75 PDE4B (0.53) PDE3APDE4BNPC1RAB9AALDH1A1
SCHEMBL2170836 0.74 PDE4B (0.52) PDE3APDE4BNPC1RAB9AALDH1A1
SCHEMBL2170590 0.74 PDE4B (0.52) PDE3APDE4BMAPTNPC1RAB9A
SCHEMBL12479229 0.72 CYP11B1 (0.48) PDE3ACYP11B1CYP11B2CYP1A2CYP2C9
SCHEMBL2170525 0.71 GRIA1 (0.49) PDE3APDE4BCYP11B1CYP11B2CYP1A2
SCHEMBL3122136 0.70 PDE4B (0.56) PDE3APDE4BCYP1A2CYP2C9CYP2C19
SCHEMBL2847415 0.68 PDE4B (1.00) PDE3APDE4B

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 6/4885CYP11B1 89/4885

“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.