SCHEMBL3612181

SCHEMBL3612181

c1ccc(C2CC2c2ccc3cnccc3c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.52
PLAU P00749 1/20 0.52
PLAT P00750 1/20 0.52
KLK1 P06870 1/20 0.52
ROCK2 O75116 6/20 0.45
JAK2 O60674 5/20 0.45
JAK3 P52333 5/20 0.45
ROCK1 Q13464 5/20 0.45
IMPDH2 P12268 1/20 0.42
NISCH Q9Y2I1 5/20 0.41
MAOA P21397 5/20 0.41
MAOB P27338 5/20 0.41
IKBKB O14920 4/20 0.40
JAK1 P23458 2/20 0.40
TYK2 P29597 2/20 0.40
CYP3A4 P08684 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
KDM1A O60341 3/20 0.38
SLC6A4 P31645 1/20 0.38

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
SCHEMBL31596756 0.90 CYP3A4 (0.43) PLGPLAUPLATKLK1ROCK2
SCHEMBL29941308 0.81 PLG (0.63) PLGPLAUPLATKLK1MAOA
SCHEMBL21067278 0.81 PLG (0.63) PLGPLAUPLATKLK1MAOA
SCHEMBL25005546 0.76 PRKCZ (0.37) ROCK2JAK2JAK3ROCK1IMPDH2
SCHEMBL8612775 0.74 MAOB (0.53) NISCHMAOAMAOBCYP3A4HTR2C
SCHEMBL8612773 0.74 MAOB (0.53) NISCHMAOAMAOBCYP3A4HTR2C
SCHEMBL2300247 0.74 PRKCZ (0.45) ROCK1IKBKB
SCHEMBL3613021 0.72 ROCK2 (0.76) ROCK2JAK2JAK3ROCK1IMPDH2
SCHEMBL25478352 0.72 ROCK2 (0.76) ROCK2JAK2JAK3ROCK1IMPDH2
SCHEMBL2163450 0.72 ROCK2 (0.76) ROCK2JAK2JAK3ROCK1IMPDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137364-A1 6-Aminoisoquinoline Compounds AERIE PHARMACEUTICALS, INC. (US) 2010-06-03 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-20100137364-A1 6-Aminoisoquinoline Compounds COQ8A, PGC, AGK PLG 1594/4885PLAU 2651/4885PLAT 3264/4885

“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.