Sugi Predict

Sugi Predict / Compounds / SCHEMBL519902

SCHEMBL519902

SCHEMBL519902

COc1ccc(N)cc1N1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ GAA P10253 1/20 0.57
▸ ALDH1A1 P00352 4/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ PRKDC P78527 1/20 0.46
▸ AKR1C3 P42330 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.45
▸ LGMN Q99538 1/20 0.45
▸ NR4A1 P22736 1/20 0.45
▸ RAB9A P51151 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ HTR3E A5X5Y0 1/20 0.44
▸ HTR3B O95264 1/20 0.44
▸ HTR3A P46098 1/20 0.44
▸ HTR3D Q70Z44 1/20 0.44
▸ HTR3C Q8WXA8 1/20 0.44
▸ BRAF P15056 1/20 0.43
▸ DRD2 P14416 1/20 0.43

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
SCHEMBL29833266 1.00 MAPT (0.57) MAPTSMN1; SMN2GAAALDH1A1KDM4E
SCHEMBL77893 0.87 GAA (0.61) MAPTSMN1; SMN2GAAALDH1A1KDM4E
SCHEMBL2483209 0.86 SLC6A5 (0.55) MAPTSMN1; SMN2ALDH1A1LMNARAB9A
SCHEMBL20630912 0.86 GAA (0.59) MAPTSMN1; SMN2GAAALDH1A1KDM4E
SCHEMBL14320628 0.85 MAPT (0.59) MAPTSMN1; SMN2GAAALDH1A1KDM4E
SCHEMBL5701472 0.83 ALDH1A1 (0.57) MAPTSMN1; SMN2GAAALDH1A1KDM4E
SCHEMBL12046912 0.82 ALDH1A1 (0.50) MAPTSMN1; SMN2ALDH1A1PRKDCAKR1C3
SCHEMBL30861221 0.82 MAPT (0.62) MAPTSMN1; SMN2GAAALDH1A1KDM4E
SCHEMBL26472755 0.82 MAPT (0.62) MAPTSMN1; SMN2GAAALDH1A1KDM4E
SCHEMBL1397389 0.82 DRD2 (0.60) MAPTGAAALDH1A1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022199589-A1 PYRIMIDINE DERIVATIVES 南京明德新药研发有限公司 2022-09-29 — — WO disclosed
US-11091488-B2 1-cyano-pyrrolidine derivatives as inhibitors of USP30 MISSION THERAPEUTICS LIMITED (GB) 2021-08-17 — — US disclosed
US-11091488-B2 1-cyano-pyrrolidine derivatives as inhibitors of USP30 MISSION THERAPEUTICS LIMITED (GB) 2021-08-17 — — US disclosed
CN-108290861-B 1-cyano-pyrrolidine derivatives as USP30 inhibitors 特殊治疗有限公司 2021-05-25 — — CN disclosed
US-20200262838-A1 1-CYANO-PYRROLIDINE DERIVATIVES AS INHIBITORS OF USP30 MISSION THERAPEUTICS LIMITED (GB) 2020-08-20 — — US disclosed
EP-3383859-B1 1-CYANO-PYRROLIDINE DERIVATIVES AS INHIBITORS OF USP30 MISSION THERAPEUTICS LTD (GB) 2020-04-29 — — EP disclosed
EP-3383859-B1 1-CYANO-PYRROLIDINE DERIVATIVES AS INHIBITORS OF USP30 MISSION THERAPEUTICS LTD (GB) 2020-04-29 — — EP disclosed
EP-2828339-B1 CARBOXYLATE DYES MILLIKEN & CO (US) 2018-10-31 — — EP disclosed
EP-3383859-A1 1-CYANO-PYRROLIDINE DERIVATIVES AS INHIBITORS OF USP30. Mission Therapeutics Limited (GB) 2018-10-10 — — EP disclosed
WO-2017093718-A1 1-CYANO-PYRROLIDINE DERIVATIVES AS INHIBITORS OF USP30. MISSION THERAPEUTICS LIMITED (GB) 2017-06-08 — — WO disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 — — US disclosed
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 — — EP disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 — — WO disclosed
US-7452873-B2 Inhibitors of GSK-3 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-18 — — US disclosed
US-7452873-B2 Inhibitors of GSK-3 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-18 — — US disclosed
US-7452873-B2 Inhibitors of GSK-3 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-18 — — US disclosed
US-20050222237-A1 Inhibitors of GSK-3 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2005-10-06 — — US disclosed
US-6916798-B2 Inhibitors of GSK-3 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-07-12 — — US disclosed
US-20040024040-A1 Inhibitors of GSK-3 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2004-02-05 — — US disclosed
WO-2003011287-A1 PYRAZOLON DERIVATIVES AS INHIBITORS OF GSK-3 VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-02-13 — — 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-11091488-B2 1-cyano-pyrrolidine derivatives as inhibitors of USP30 USP30, USP1, USP20 MAPT 2689/4885SMN1; SMN2 3283/4885GAA 1608/4885
US-20040024040-A1 Inhibitors of GSK-3 and uses thereof GSK3B, AURKC, GSK3A MAPT 154/4885SMN1; SMN2 2612/4885GAA 1224/4885
US-20050222237-A1 Inhibitors of GSK-3 and uses thereof GSK3B, AURKC, GSK3A MAPT 154/4885SMN1; SMN2 2612/4885GAA 1224/4885
US-20200262838-A1 1-CYANO-PYRROLIDINE DERIVATIVES AS INHIBITORS OF USP30 USP30, USP1, USP20 MAPT 2689/4885SMN1; SMN2 3283/4885GAA 1608/4885
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 MAPT 3109/4885SMN1; SMN2 4722/4885GAA 3085/4885

“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.