Sugi Predict

Sugi Predict / Compounds / SCHEMBL2777693

SCHEMBL2777693

SCHEMBL2777693

COc1cc2c(cc1OC(C)C)-c1c(-c3cccs3)nc(C(=O)N3CCNC(=O)CC3)n1CC2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 1/20 0.43
▸ PDE7A Q13946 6/20 0.39
▸ PDE10A Q9Y233 6/20 0.39
▸ PDE3A Q14432 5/20 0.39
▸ GAA P10253 1/20 0.38
▸ ABCB1 P08183 2/20 0.36
▸ MAPT P10636 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ GLA P06280 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ MDM2 Q00987 3/20 0.33
▸ TP53 P04637 2/20 0.33
▸ MDM4 O15151 1/20 0.33
▸ BCL2 P10415 1/20 0.33

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
SCHEMBL1159550 0.87 KCNK3 (0.45) KCNK3PDE7APDE10APDE3AGAA
SCHEMBL2777938 0.85 KCNK3 (0.42) KCNK3PDE7APDE10APDE3AGAA
SCHEMBL31105163 0.84 KCNK3 (0.50) KCNK3PDE7APDE10APDE3AGAA
SCHEMBL2775179 0.83 KCNK3 (0.42) KCNK3PDE7APDE10APDE3AGAA
SCHEMBL2777160 0.83 KCNK3 (0.43) KCNK3PDE7APDE10APDE3AGAA
SCHEMBL2776695 0.83 KCNK3 (0.43) KCNK3PDE7APDE10APDE3AGAA
SCHEMBL13046541 0.83 KCNK3 (0.43) KCNK3PDE7APDE10APDE3AGAA
SCHEMBL13046540 0.83 KCNK3 (0.43) KCNK3PDE7APDE10APDE3AGAA
SCHEMBL13046536 0.82 KCNK3 (0.48) KCNK3PDE7APDE10APDE3AGAA
SCHEMBL31105340 0.81 KCNK3 (0.61) KCNK3PDE7APDE10APDE3AGAA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2435433-B1 (DIHYDRO)IMIDAZOISO[5,1-A]QUINOLINES AS FSH RECEPTOR AGONISTS FOR THE TREATMENT OF FERTILITY DISORDERS MERCK SHARP & DOHME (NL) 2013-08-28 — — EP disclosed
US-8071587-B2 (Dihydro)imidazoiso[5,1-A]quinolines N. V. ORGANON (NL) 2011-12-06 — — US disclosed
US-8071587-B2 (Dihydro)imidazoiso[5,1-A]quinolines N. V. ORGANON (NL) 2011-12-06 — — US disclosed
US-8071587-B2 (Dihydro)imidazoiso[5,1-A]quinolines N. V. ORGANON (NL) 2011-12-06 — — US disclosed
US-20100324021-A1 (DIHYDRO)IMIDAZOISO[5,1-A]QUINOLINES N.V. ORGANON (NL) 2010-12-23 — — US disclosed
US-20100324021-A1 (DIHYDRO)IMIDAZOISO[5,1-A]QUINOLINES N.V. ORGANON (NL) 2010-12-23 — — US disclosed
US-20100324021-A1 (DIHYDRO)IMIDAZOISO[5,1-A]QUINOLINES N.V. ORGANON (NL) 2010-12-23 — — US disclosed
WO-2010136438-A1 (DIHYDRO) IMIDAZOISO (5, 1-A) QUINOLINES AS FSH RECEPTOR AGONISTS FOR THE TREATMENT OF FERTILITY DISORDERS N.V. ORGANON (NL) 2010-12-02 — — 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-20100324021-A1 (DIHYDRO)IMIDAZOISO[5,1-A]QUINOLINES NQO2, IPO5, SCN5A KCNK3 419/4885PDE7A 417/4885PDE10A 919/4885

“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.