SCHEMBL12201759

SCHEMBL12201759

NCC(=O)Nc1ccc2cnccc2c1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 3/20 0.61
PRMT3 O60678 1/20 0.60
ROCK2 O75116 12/20 0.60
ROCK1 Q13464 3/20 0.60
NOTUM Q6P988 4/20 0.58
MYLK4 Q86YV6 1/20 0.56

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
Hydrochloric Acid SCHEMBL3564762 0.98 IMPDH2 (0.59) IMPDH2PRMT3ROCK2ROCK1NOTUM
Hydrochloric Acid SCHEMBL2162309 0.98 IMPDH2 (0.59) IMPDH2PRMT3ROCK2ROCK1NOTUM
SCHEMBL21430054 0.88 IMPDH2 (0.62) IMPDH2PRMT3ROCK2ROCK1NOTUM
SCHEMBL20262924 0.87 KDM4E (0.66) IMPDH2PRMT3ROCK2ROCK1NOTUM
SCHEMBL30176801 0.87 KDM4E (0.66) IMPDH2PRMT3ROCK2ROCK1NOTUM
SCHEMBL19860095 0.86 IMPDH2 (0.62) IMPDH2PRMT3ROCK2ROCK1NOTUM
SCHEMBL12201798 0.85 PRMT3 (0.64) IMPDH2PRMT3ROCK2ROCK1NOTUM
SCHEMBL2162755 0.85 NOTUM (0.62) IMPDH2PRMT3ROCK2ROCK1NOTUM
Hydrochloric Acid SCHEMBL111600 0.84 PRMT3 (0.62) IMPDH2PRMT3ROCK2ROCK1NOTUM
SCHEMBL19900450 0.83 IMPDH2 (0.66) IMPDH2PRMT3ROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8034943-B2 6-aminoisoquinoline compounds AERIE PHARMACEUTICALS, INC. (US) 2011-10-11 US disclosed
US-20100137364-A1 6-Aminoisoquinoline Compounds AERIE PHARMACEUTICALS, INC. (US) 2010-06-03 US disclosed
US-7671205-B2 6-aminoisoquinoline compounds AERIE PHARMACEUTICALS, INC. (US) 2010-03-02 US disclosed
US-20070173530-A1 6-Aminoisoquinoline Compounds AERIE PHARMACEUTICALS, INC. (US) 2007-07-26 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 (2 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 IMPDH2 2131/4885PRMT3 1026/4885ROCK2 246/4885
US-20070173530-A1 6-Aminoisoquinoline Compounds COQ8A, PGC, AGK IMPDH2 2131/4885PRMT3 1026/4885ROCK2 246/4885

“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.