Sugi Predict

Sugi Predict / Compounds / SCHEMBL3405632

SCHEMBL3405632

SCHEMBL3405632

Brc1ccccc1OCCN1CCOCC1

nearest known ligand 0.86

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.86
▸ POLB P06746 1/20 0.84
▸ ALDH1A1 P00352 3/20 0.70
▸ SMN1; SMN2 Q16637 1/20 0.70
▸ DRD1 P21728 1/20 0.62
▸ DRD4 P21917 1/20 0.62
▸ DRD5 P21918 1/20 0.62
▸ KMT2A Q03164 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ NPC1 O15118 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ LTA4H P09960 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ MAOB P27338 1/20 0.53

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
SCHEMBL14406120 0.92 KDM4E (1.00) KDM4EPOLBALDH1A1SMN1; SMN2DRD1
SCHEMBL29559230 0.85 POLB (0.64) KDM4EPOLBALDH1A1SMN1; SMN2DRD1
SCHEMBL28937449 0.85 POLB (0.64) KDM4EPOLBALDH1A1SMN1; SMN2DRD1
SCHEMBL2321726 0.85 KDM4E (0.69) KDM4EPOLBALDH1A1DRD1DRD4
SCHEMBL1928614 0.84 KDM4E (0.67) KDM4EPOLBALDH1A1SMN1; SMN2KMT2A
SCHEMBL14578233 0.84 DRD1 (0.65) KDM4EPOLBSMN1; SMN2DRD1DRD4
SCHEMBL5319656 0.81 KDM4E (0.70) KDM4EPOLBALDH1A1SMN1; SMN2DRD1
SCHEMBL1853220 0.81 DRD1 (0.62) KDM4EPOLBSMN1; SMN2DRD1DRD4
SCHEMBL14396561 0.81 POLB (0.63) KDM4EPOLBSMN1; SMN2DRD1DRD4
SCHEMBL2464557 0.81 DRD1 (0.62) KDM4EPOLBSMN1; SMN2DRD1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9656971-B2 COMT inhibitors HOFFMANN-LA ROCHE INC. (US) 2017-05-23 — — US disclosed
EP-2938600-B1 COMT INHIBITORS HOFFMANN LA ROCHE (CH) 2017-01-25 — — EP disclosed
US-20160002177-A1 COMT INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2016-01-07 — — US disclosed
EP-2938600-A1 COMT INHIBITORS F. Hoffmann-La Roche AG (CH) 2015-11-04 — — EP disclosed
WO-2014102233-A1 COMT INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2014-07-03 — — WO disclosed
EP-2264033-A1 3,5-DIPHENYL-SUBSTITUTED PYRROLO[2,3b]PYRIDINES USEFUL AS KINASE INHIBITORS SGX Pharmaceuticals, Inc. (US) 2010-12-22 — — EP disclosed
EP-2134343-A2 PYRROLO-PYRIDINE KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2009-12-23 — — EP disclosed
US-7582637-B2 Pyrrolo-pyridine kinase modulators SGX PHARMACEUTICALS, INC. (US) 2009-09-01 — — US disclosed
WO-2008124849-A2 PYRROLO-PYRIDINE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-10-16 — — WO disclosed
US-20080221119-A1 PYRROLO-PYRIDINE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-09-11 — — US disclosed
WO-2007106236-A2 PYRROLO-PYRIDINE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-09-20 — — WO disclosed
EP-1781654-A1 PYRROLO-PYRIDINE KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2007-05-09 — — EP disclosed
US-7186715-B2 Piperazine- and piperidine-derivatives as melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-03-06 — — US disclosed
US-20070043068-A1 to treat diseases mediated by kinase activity; for example: [3-(2-methoxy-phenyl)-1H-pyrrolo[2,3-b]pyridine-5-yl]-methyl-phenyl-amine SGX PHARMACEUTICALS, INC. (US) 2007-02-22 — — US disclosed
US-20060030583-A1 Pyrrolo-pyridine kinase modulators SGX PHARMACEUTICALS, INC. (US) 2006-02-09 — — US disclosed
WO-2006015123-A1 PYRROLO-PYRIDINE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2006-02-09 — — WO disclosed
EP-1370558-B1 PIPERAZINE- AND PIPERIDINE-DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS LILLY CO ELI (US) 2005-08-24 — — EP disclosed
US-20040082590-A1 Piperazine- and piperidine-derivatives as melanocortin receptor agonists ELI LILLY AND COMPANY 2004-04-29 — — US disclosed
EP-1370558-A1 PIPERAZINE- AND PIPERIDINE-DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2003-12-17 — — EP disclosed
WO-2002059117-A1 PIPERAZINE- AND PIPERIDINE-DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2002-08-01 — — 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 (5 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-20160002177-A1 COMT INHIBITORS COMT, PNMT, SLC6A3 KDM4E 1308/4885POLB 535/4885ALDH1A1 92/4885
US-20080221119-A1 PYRROLO-PYRIDINE KINASE MODULATORS MAP3K20, MAP4K2, MAP3K19 KDM4E 699/4885POLB 1790/4885ALDH1A1 4474/4885
US-20040082590-A1 Piperazine- and piperidine-derivatives as melanocortin receptor agonists MC1R, MC4R, MC5R KDM4E 2844/4885POLB 2866/4885ALDH1A1 1078/4885
US-20060030583-A1 Pyrrolo-pyridine kinase modulators MAP3K20, MAP4K2, MAP3K19 KDM4E 699/4885POLB 1790/4885ALDH1A1 4474/4885
US-20070043068-A1 to treat diseases mediated by kinase activity; for example: [3-(2-methoxy-phenyl)-1H-pyrrolo[2,3-b]pyridine-5-yl]-methyl-phenyl-amine MAP3K20, MAP4K2, MAP3K6 KDM4E 969/4885POLB 1430/4885ALDH1A1 4281/4885

“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.