Isoquinoline

Isoquinoline

SCHEMBL3099710

NC(N)=O.c1ccc2cnccc2c1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
HTT P42858 1/20 0.50
IMPDH2 P12268 3/20 0.47
ROCK2 O75116 5/20 0.46
SIRT3 Q9NTG7 2/20 0.45
F7 P08709 1/20 0.45
F3 P13726 1/20 0.45
SARM1 Q6SZW1 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.45
SIRT6 Q8N6T7 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
SIRT5 Q9NXA8 1/20 0.45
SIRT4 Q9Y6E7 1/20 0.45
CDK8 P49336 3/20 0.44
ROCK1 Q13464 3/20 0.44
CHEK1 O14757 1/20 0.44
AURKA O14965 1/20 0.44
DAPK3 O43293 1/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44

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 SCHEMBL2230386 0.94 IMPDH2 (0.50) KDM4EHTTIMPDH2ROCK2SIRT3
Isoquinoline SCHEMBL2227676 0.92 KDM4E (0.47) KDM4EHTTIMPDH2ROCK2SIRT3
Isoquinoline SCHEMBL5656668 0.92 KDM4E (0.47) KDM4EHTTIMPDH2ROCK2SIRT3
Isoquinoline SCHEMBL11346369 0.89 IMPDH2 (0.53) KDM4EHTTIMPDH2ROCK2CDK8
Isoquinoline SCHEMBL28077806 0.87 TNF (0.44) KDM4EHTTIMPDH2ROCK2SIRT3
Isoquinoline SCHEMBL28990412 0.87 IMPDH2 (0.47) KDM4EHTTIMPDH2ROCK2CDK8
Isoquinoline SCHEMBL4353462 0.87 IMPDH2 (0.51) KDM4EHTTIMPDH2ROCK2CDK8
Isoquinoline SCHEMBL29281123 0.87 CDK8 (0.46) KDM4EHTTIMPDH2ROCK2SIRT3
Isoquinoline SCHEMBL7759029 0.87 ROCK2 (0.44) KDM4EHTTIMPDH2ROCK2SIRT3
Isoquinoline SCHEMBL1536317 0.86 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234454-A1 TREATMENT OF CNIDARIA INTOXICATION KATHOLIEKE UNIVERSITEIT LEUVEN K.U. LEUVEN R&D (BE) 2010-09-16 US claimed
EP-2034979-A2 TREATMENT OF CNIDARIA INTOXICATION WITH VANILLOID RECEPTOR ANTAGONISTS Katholieke Universiteit Leuven (BE) 2009-03-18 EP claimed
WO-2007140551-A2 TREATMENT OF CNIDARIA INTOXICATION WITH VANILLOID RECEPTOR ANTAGONISTS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2007-12-13 WO claimed
US-20100234454-A1 TREATMENT OF CNIDARIA INTOXICATION KATHOLIEKE UNIVERSITEIT LEUVEN K.U. LEUVEN R&D (BE) 2010-09-16 US disclosed
EP-2034979-A2 TREATMENT OF CNIDARIA INTOXICATION WITH VANILLOID RECEPTOR ANTAGONISTS Katholieke Universiteit Leuven (BE) 2009-03-18 EP disclosed
WO-2007140551-A2 TREATMENT OF CNIDARIA INTOXICATION WITH VANILLOID RECEPTOR ANTAGONISTS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2007-12-13 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 (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-20100234454-A1 TREATMENT OF CNIDARIA INTOXICATION CNR1, CNR2, AVPR1A KDM4E 2472/4885HTT 3882/4885IMPDH2 4248/4885

“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.