SCHEMBL5662876

SCHEMBL5662876

CC(C)(C)OC(=O)NC1CCCC(Nc2cccc3cnccc23)C1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 14/20 0.51
▸ ROCK1 Q13464 8/20 0.51
▸ PRKCZ Q05513 1/20 0.51
▸ BTK Q06187 1/20 0.45
▸ PIM1 P11309 1/20 0.45
▸ PIM2 Q9P1W9 1/20 0.45
▸ CCR2 P41597 1/20 0.43
▸ TRPV1 Q8NER1 2/20 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
SCHEMBL5664378 0.90 ROCK2 (0.61) ROCK2ROCK1PRKCZCCR2TRPV1
SCHEMBL5664368 0.90 ROCK2 (0.61) ROCK2ROCK1PRKCZCCR2TRPV1
SCHEMBL5665109 0.90 ROCK2 (0.61) ROCK2ROCK1PRKCZCCR2TRPV1
SCHEMBL5662650 0.83 PRKD3 (0.43) ROCK2ROCK1PRKCZBTKPIM1
SCHEMBL4477690 0.78 ROCK2 (0.56) ROCK2ROCK1CCR2
SCHEMBL5661736 0.78 HCRTR1 (0.46) ROCK2ROCK1TRPV1
SCHEMBL5661731 0.78 HCRTR1 (0.46) ROCK2ROCK1TRPV1
SCHEMBL5662572 0.78 ROCK2 (0.58) ROCK2ROCK1CCR2
SCHEMBL29862650 0.78 ROCK2 (0.58) ROCK2ROCK1CCR2
SCHEMBL3246360 0.77 TRPV1 (0.63) TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7094789-B2 5-substituted isoquinoline derivatives ASAHI KASEI PHARMA CORPORATION (JP) 2006-08-22 — — US disclosed
EP-1541559-A1 5-SUBSTITUTED ISOQUINOLINE DERIVATIVE Asahi Kasei Pharma Corporation (JP) 2005-06-15 — — EP disclosed
US-20050020623-A1 5-Substituted isoquinoline derivatives ASAHI KASEI PHARMA CORPORATION (JP) 2005-01-27 — — US 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-20050020623-A1 5-Substituted isoquinoline derivatives MYLK, MYLK2, MYL12A ROCK2 158/4885ROCK1 75/4885PRKCZ 97/4885

“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.

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