Isoquinoline

Isoquinoline

SCHEMBL2227676

NC(=O)S.c1ccc2cnccc2c1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
HTT P42858 1/20 0.47
IMPDH2 P12268 3/20 0.45
ROCK2 O75116 5/20 0.44
SIRT3 Q9NTG7 2/20 0.42
F7 P08709 1/20 0.42
F3 P13726 1/20 0.42
SARM1 Q6SZW1 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
SIRT6 Q8N6T7 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
SIRT5 Q9NXA8 1/20 0.42
SIRT4 Q9Y6E7 1/20 0.42
ROCK1 Q13464 3/20 0.42
CDK8 P49336 3/20 0.42
CCNC P24863 2/20 0.42
CHEK1 O14757 1/20 0.42
AURKA O14965 1/20 0.42
DAPK3 O43293 1/20 0.42
PRKD3 O94806 1/20 0.42

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
Isoquinoline SCHEMBL3099710 0.92 KDM4E (0.50) KDM4EHTTIMPDH2ROCK2SIRT3
Isoquinoline SCHEMBL2230386 0.90 IMPDH2 (0.50) KDM4EHTTIMPDH2ROCK2SIRT3
Isoquinoline SCHEMBL5656668 0.88 KDM4E (0.47) KDM4EHTTIMPDH2ROCK2SIRT3
Isoquinoline SCHEMBL11346369 0.85 IMPDH2 (0.53) KDM4EHTTIMPDH2ROCK2ROCK1
Isoquinoline SCHEMBL4353462 0.83 IMPDH2 (0.51) KDM4EHTTIMPDH2ROCK2ROCK1
Isoquinoline SCHEMBL28990412 0.83 IMPDH2 (0.47) KDM4EHTTIMPDH2ROCK2ROCK1
Isoquinoline SCHEMBL28077806 0.83 TNF (0.44) KDM4EHTTIMPDH2ROCK2SIRT3
Isoquinoline SCHEMBL29281123 0.83 CDK8 (0.46) KDM4EHTTIMPDH2ROCK2SIRT3
Isoquinoline SCHEMBL7759029 0.83 ROCK2 (0.44) KDM4EHTTIMPDH2ROCK2SIRT3
Isoquinoline SCHEMBL1536317 0.82 TNF (0.48) KDM4EHTTIMPDH2CYP3A4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977354-B2 Heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-alzheimer agents INSA ROUEN (FR) 2011-07-12 US disclosed
US-20090062279-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTI-ALZHEIMER AGENTS INSA ROUEN (FR) 2009-03-05 US disclosed
EP-1868998-A2 NEW HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTI-ALZHEIMER AGENTS Insa Rouen (FR) 2007-12-26 EP disclosed
EP-1731507-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-alzheimer agents Institut National des Sciences Appliquees de Rouen (INSA) (FR) 2006-12-13 EP disclosed
WO-2006103120-A2 NEW HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTI-ALZHEIMER AGENTS INSA ROUEN (FR) 2006-10-05 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 (1 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-20090062279-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTI-ALZHEIMER AGENTS NLN, SNCA, APP KDM4E 1927/4885HTT 51/4885IMPDH2 3304/4885

“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.