SCHEMBL5044824

SCHEMBL5044824

CC(C)Nc1cnc(N)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.38
HRH4 Q9H3N8 3/20 0.37
APP P05067 1/20 0.34
NOS3 P29474 3/20 0.33
NOS2 P35228 3/20 0.33
NOS1 P29475 2/20 0.33
PDE10A Q9Y233 1/20 0.33
GSK3B P49841 1/20 0.33
AURKA O14965 1/20 0.32
PDPK1 O15530 1/20 0.32
TGFBR1 P36897 1/20 0.32
AURKB Q96GD4 1/20 0.32
AOC1 P19801 2/20 0.32
AOC3 Q16853 2/20 0.32
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
HSP90AA1 P07900 1/20 0.31
LRRK2 Q5S007 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
SCHEMBL15382065 0.77 HCAR3 (0.43) HCAR3TRPM8HRH4PDE10AGSK3B
SCHEMBL14390105 0.76
SCHEMBL26866959 0.76 HCAR3 (0.42) HCAR3TRPM8PDE10ATLR9TLR8
SCHEMBL28293243 0.76 HCAR3 (0.42) HCAR3TRPM8PDE10A
SCHEMBL18291890 0.74 HCAR3 (0.37) HCAR3TRPM8HRH4APPAURKA
SCHEMBL12693737 0.74 HCAR3 (0.41) HCAR3TRPM8AOC1AOC3MEN1
SCHEMBL13249613 0.74 HCAR3 (0.53) HCAR3TRPM8PDE10AGSK3BTLR9
SCHEMBL29581129 0.74 HCAR3 (0.53) HCAR3TRPM8PDE10AGSK3BTLR9
SCHEMBL4253816 0.73
SCHEMBL5044822 0.72 HCAR3 (0.51) HCAR3GSK3BKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1654260-A4 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2008-09-24 EP claimed
EP-1654260-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-05-10 EP claimed
US-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 US claimed
WO-2005011601-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS, INC. (US) 2005-02-10 WO claimed
EP-3097101-B1 ISOQUINOLINE DERIVATIVES AS MGAT2 INHIBITORS MERCK SHARP & DOHME (US) 2020-12-23 EP disclosed
EP-3097101-B1 ISOQUINOLINE DERIVATIVES AS MGAT2 INHIBITORS MERCK SHARP & DOHME (US) 2020-12-23 EP disclosed
US-10065945-B2 Isoquinoline derivatives as MGAT2 inhibitors MERCK SHARP & DOHME CORP. (US) 2018-09-04 US disclosed
US-20180009796-A1 ISOQUINOLINE DERIVATIVES AS MGAT2 INHIBITORS MERCK SHARP & DOHME LLC 2018-01-11 US disclosed
EP-3097101-A1 ISOQUINOLINE DERIVATIVES AS MGAT2 INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-11-30 EP disclosed
WO-2015112465-A1 ISOQUINOLINE DERIVATIVES AS MGAT2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-07-30 WO disclosed
WO-2015112465-A1 ISOQUINOLINE DERIVATIVES AS MGAT2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-07-30 WO disclosed
EP-1654260-A4 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2008-09-24 EP disclosed
EP-1654260-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-05-10 EP disclosed
US-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 US disclosed
WO-2005011601-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS, INC. (US) 2005-02-10 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-20180009796-A1 ISOQUINOLINE DERIVATIVES AS MGAT2 INHIBITORS MGAT2, MGAT1, ACAT2 HCAR3 1931/4885TRPM8 2722/4885HRH4 2854/4885
US-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders APP, BACE1, SNCA HCAR3 748/4885TRPM8 4047/4885HRH4 439/4885
US-10065945-B2 Isoquinoline derivatives as MGAT2 inhibitors MGAT2, MGAT1, ACAT2 HCAR3 1931/4885TRPM8 2722/4885HRH4 2854/4885

“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.