Sugi Predict

Sugi Predict / Compounds / SCHEMBL3241026

SCHEMBL3241026

SCHEMBL3241026

COc1cc(F)c2nccc(C3CO3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACVR1 Q04771 1/20 0.40
▸ NR1I2 O75469 1/20 0.38
▸ IDO1 P14902 1/20 0.38
▸ PDE10A Q9Y233 2/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ PDE2A O00408 1/20 0.33
▸ CCR8 P51685 4/20 0.33
▸ CCR1 P32246 1/20 0.33
▸ CCR5 P51681 1/20 0.33
▸ HTR1A P08908 2/20 0.32
▸ SLC2A1 P11166 1/20 0.32
▸ TRPA1 O75762 1/20 0.32
▸ CRHR1 P34998 1/20 0.31
▸ HASPIN Q8TF76 2/20 0.31
▸ DYRK2 Q92630 2/20 0.31
▸ LRRK2 Q5S007 1/20 0.31
▸ NSD2 O96028 1/20 0.31
▸ CASP6 P55212 1/20 0.31

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
SCHEMBL1148037 0.76 LMNA (0.50) CCR8HTR1A
SCHEMBL5927522 0.76 LMNA (0.50) CCR8HTR1A
SCHEMBL3252390 0.76 LMNA (0.50) CCR8HTR1A
SCHEMBL3920309 0.74 CCR8 (0.48) ACVR1CCR8
SCHEMBL4279169 0.74 NOS3 (0.43) ACVR1PDE10APDE2ACCR8CCR1
SCHEMBL3375901 0.74 CCR1 (0.38) ACVR1PDE10APDE2ACCR8CCR1
SCHEMBL18544288 0.74 CCR1 (0.38) ACVR1PDE10APDE2ACCR8CCR1
SCHEMBL2923376 0.74 NOS3 (0.40) ACVR1PDE10APDE2ACCR8CCR1
Hydrochloric Acid SCHEMBL5748572 0.73 NOS3 (0.42) ACVR1PDE10APDE2ACCR8CCR1
Hydrochloric Acid SCHEMBL6640376 0.73 NOS3 (0.42) ACVR1PDE10APDE2ACCR8CCR1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2181996-A1 Aminopiperidine derivatives GLAXO GROUP LIMITED (GB) 2010-05-05 — — EP disclosed
US-7534793-B2 Aminopiperidine quinolines and their azaisosteric analogues with antibacterial activity SMITHKLINE BEECHAM P.L.C. (GB) 2009-05-19 — — US disclosed
US-7491714-B2 Quinolines and nitrogenated derivatives thereof and their use as antibacterial agents GLAXO GROUP LIMITED (GB) 2009-02-17 — — US disclosed
EP-1567520-B1 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF AND THEIR USE AS ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2008-10-15 — — EP disclosed
US-7312212-B2 Aminopiperidine derivatives GLAXO GROUP LIMITED (GB) 2007-12-25 — — US disclosed
EP-1305308-B1 AMINOPIPERIDINE QUINOLINES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2006-12-20 — — EP disclosed
EP-1719770-A2 Quinoline derivatives as antibacterials SMITHKLINE BEECHAM PLC (GB) 2006-11-08 — — EP disclosed
EP-1567520-A4 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF AND THEIR USE AS ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2006-08-02 — — EP disclosed
US-20060116512-A1 Quinolines and nitrogenated derivatives thereof and their use as antibacterial agents GLAXO GROUP LIMITED (GB) 2006-06-01 — — US disclosed
EP-1320529-B1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2006-05-24 — — EP disclosed
US-20050159411-A1 Aminopiperidine derivatives GLAXO GROUP LIMITED (GB) 2005-07-21 — — US disclosed
EP-1470125-A1 AMINOPIPERIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2004-10-27 — — EP disclosed
WO-2004050036-A2 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF AND THEIR USE AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2004-06-17 — — WO disclosed
US-20040053928-A1 Quinoline derivatives as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-03-18 — — US disclosed
US-20040038998-A1 Aminopiperidine quinolines and their azaisosteric analogues with antibacterical activity SMITHKLINE BEECHAM P.L.C. (GB) 2004-02-26 — — US disclosed
WO-2003064421-A1 AMINOPIPERIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-08-07 — — WO disclosed
EP-1320529-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2003-06-25 — — EP disclosed
EP-1305308-A1 AMINOPIPERIDINE QUINOLINES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2003-05-02 — — EP disclosed
WO-2002024684-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2002-03-28 — — WO disclosed
WO-2002008224-A1 AMINOPIPERIDINE QUINOLINES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY SMITHKLINE BEECHAM P.L.C. (GB) 2002-01-31 — — 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 (4 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-20040053928-A1 Quinoline derivatives as antibacterials AAAS, QDPR, QARS1 ACVR1 4869/4885NR1I2 1197/4885IDO1 913/4885
US-20040038998-A1 Aminopiperidine quinolines and their azaisosteric analogues with antibacterical activity AZI2, AMPD2, AMPD1 ACVR1 4741/4885NR1I2 548/4885IDO1 507/4885
US-20060116512-A1 Quinolines and nitrogenated derivatives thereof and their use as antibacterial agents NQO2, NQO1, NPM1 ACVR1 4848/4885NR1I2 811/4885IDO1 873/4885
US-20050159411-A1 Aminopiperidine derivatives AMPD2, AMPD3, NPEPPS ACVR1 4686/4885NR1I2 2478/4885IDO1 601/4885

“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.