SCHEMBL3380296

SCHEMBL3380296

O=C(Nc1ccc2[nH]ncc2c1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 1.00
RAB9A P51151 7/20 1.00
JAK2 O60674 2/20 1.00
ALDH1A1 P00352 1/20 0.77
MAPT P10636 1/20 0.77
HPGD P15428 1/20 0.77
ALOX12 P18054 1/20 0.77
ROCK2 O75116 3/20 0.76
ROCK1 Q13464 3/20 0.76
MAP4K4 O95819 2/20 0.76
RPS6KB1 P23443 2/20 0.76
CLK2 P49760 2/20 0.76
DYRK1A Q13627 2/20 0.76
CLK4 Q9HAZ1 2/20 0.76
PRKD3 O94806 1/20 0.76
PRKG1 Q13976 1/20 0.76
PRKD2 Q9BZL6 1/20 0.76
SGK2 Q9HBY8 1/20 0.76
STK17A Q9UEE5 1/20 0.76
DYRK3 O43781 1/20 0.74

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
SCHEMBL29429758 0.89 RAB9A (0.80) NPC1RAB9AJAK2ALDH1A1MAPT
SCHEMBL3378320 0.89 RAB9A (0.80) NPC1RAB9AJAK2ALDH1A1MAPT
SCHEMBL5415117 0.88 MAOB (0.80) NPC1RAB9AJAK2ROCK2ROCK1
Hydrochloric Acid SCHEMBL7368705 0.87 RAB9A (0.78) NPC1RAB9AJAK2ALDH1A1MAPT
SCHEMBL5818769 0.87 NPC1 (1.00) NPC1RAB9AJAK2ALDH1A1MAPT
SCHEMBL14547565 0.87 NPC1 (0.77) NPC1RAB9AJAK2ALDH1A1MAPT
SCHEMBL2569111 0.87 NPC1 (0.76) NPC1RAB9AJAK2ALDH1A1ROCK2
SCHEMBL5381378 0.87 NPC1 (0.76) NPC1RAB9AJAK2ROCK2ROCK1
SCHEMBL1664461 0.86 NPC1 (1.00) NPC1RAB9AJAK2ROCK2ROCK1
SCHEMBL15764655 0.86 NPC1 (0.76) NPC1RAB9AJAK2ROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3324954-B1 AMINONAPTHOQUINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITION FOR BLOCKING UBIQUITINATION-PROTEASOME SYSTEM IN DISEASES CALGENT BIOTECHNOLOGY CO LTD (TW) 2022-03-09 EP claimed
US-20230357714-A1 STEM CELL CULTURE SYSTEMS FOR COLUMNAR EPITHELIAL STEM CELLS, AND USES RELATED THERETO UNIVERSITY OF HOUSTON SYSTEM (US) 2023-11-09 US disclosed
US-20230357714-A1 STEM CELL CULTURE SYSTEMS FOR COLUMNAR EPITHELIAL STEM CELLS, AND USES RELATED THERETO UNIVERSITY OF HOUSTON SYSTEM (US) 2023-11-09 US disclosed
US-11725185-B2 Stem cell culture systems for columnar epithelial stem cells, and uses related thereto UNIVERSITY OF HOUSTON SYSTEM (US) 2023-08-15 US disclosed
US-20210062145-A1 STEM CELL CULTURE SYSTEMS FOR COLUMNAR EPITHELIAL STEM CELLS, AND USES RELATED THERETO UNIVERSITY OF HOUSTON SYSTEM (US) 2021-03-04 US disclosed
US-9951316-B2 Enhancers of induced pluripotent stem cell reprogramming CITY OF HOPE (US) 2018-04-24 US disclosed
US-9447033-B2 Potassium channel blockers JAPAN TOBACCO INC. (JP) 2016-09-20 US disclosed
US-20150259282-A1 Potassium Channel Blockers XENTION LIMITED (GB) 2015-09-17 US disclosed
US-20150191701-A1 ENHANCERS OF INDUCED PLURIPOTENT STEM CELL REPROGRAMMING CITY OF HOPE 2015-07-09 US disclosed
US-9073834-B2 Potassium channel blockers XENTION LIMITED (GB) 2015-07-07 US disclosed
US-8962322-B2 Enhancers of induced pluripotent stem cell reprogramming CITY OF HOPE 2015-02-24 US disclosed
US-20140221337-A1 Potassium Channel Blockers XENTION LIMITED (GB) 2014-08-07 US disclosed
US-20140154805-A1 ENHANCERS OF INDUCED PLURIPOTENT STEM CELL REPROGRAMMING CITY OF HOPE (US) 2014-06-05 US disclosed
US-8673901-B2 Potassium channel blockers XENTION LIMITED (GB) 2014-03-18 US disclosed
US-20100087428-A1 Novel Potassium Channel Blockers XENTION LIMITED (GB) 2010-04-08 US disclosed
EP-1708996-A1 FUSED HETEROYRAL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-11 EP disclosed
WO-2005073189-A1 FUSED HETEROYRAL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-11 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 (3 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-20140221337-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 NPC1 628/4885RAB9A 1923/4885JAK2 1913/4885
US-20100087428-A1 Novel Potassium Channel Blockers HCN4, SCN2B, KCNH2 NPC1 905/4885RAB9A 3852/4885JAK2 2535/4885
US-20150259282-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 NPC1 628/4885RAB9A 1923/4885JAK2 1913/4885

“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.