SCHEMBL3317150

SCHEMBL3317150

Nc1ccc2c(C3CN(CC4CC4)C3)nccc2c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 7/20 0.35
GRM4 Q14833 1/20 0.35
ROCK2 O75116 2/20 0.35
KCNH2 Q12809 2/20 0.35
OPRM1 P35372 1/20 0.34
MAPK7 Q13164 1/20 0.34
KLKB1 P03952 1/20 0.34
KLK1 P06870 1/20 0.34
JAK2 O60674 2/20 0.32
JAK1 P23458 2/20 0.32
TYK2 P29597 2/20 0.32
JAK3 P52333 2/20 0.32
KDM2B Q8NHM5 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
SCHEMBL3312168 0.94 KLKB1 (0.38) ROCK1GRM4ROCK2KCNH2OPRM1
SCHEMBL3313654 0.90 ROCK1 (0.39) ROCK1GRM4KCNH2OPRM1MAPK7
SCHEMBL3312549 0.85 ROCK1 (0.40) ROCK1ROCK2KCNH2OPRM1KLKB1
SCHEMBL3315584 0.84 OPRL1 (0.45) ROCK1OPRM1MAPK7KLKB1KLK1
SCHEMBL3314206 0.84 MAPK7 (0.35) ROCK1GRM4ROCK2KCNH2OPRM1
SCHEMBL3320107 0.81 ROCK1 (0.34) ROCK1GRM4ROCK2KCNH2MAPK7
SCHEMBL3313658 0.80 SIGMAR1 (0.34) ROCK1GRM4ROCK2KCNH2MAPK7
SCHEMBL3317291 0.80 ROCK1 (0.51) ROCK1ROCK2KCNH2KLKB1KLK1
SCHEMBL3316205 0.78 KDM4E (0.37) ROCK1GRM4ROCK2KCNH2OPRM1
SCHEMBL3312181 0.78 ROCK1 (0.41) ROCK1GRM4ROCK2KCNH2MAPK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748614-B2 Substituted isoquinoline and isoquinolinone derivatives SANOFI (FR) 2014-06-10 US disclosed
US-20100105650-A1 Substituted isoquinoline and isoquinolinone derivatives SANOFI-AVENTIS (FR) 2010-04-29 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-20100105650-A1 Substituted isoquinoline and isoquinolinone derivatives MYLK2, MYLK, MYLK3 ROCK1 5/4885GRM4 3037/4885ROCK2 6/4885

“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.