SCHEMBL1105016

SCHEMBL1105016

N[C@@H]1CCC(C(=O)Nc2ccc3cnccc3c2)C1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 3/20 0.55
PRMT3 O60678 8/20 0.53
IMPDH2 P12268 3/20 0.51
SMYD3 Q9H7B4 1/20 0.51
ROCK2 O75116 3/20 0.49
ROCK1 Q13464 3/20 0.49
JAK2 O60674 2/20 0.49
JAK3 P52333 2/20 0.49
IKBKB O14920 1/20 0.49
JAK1 P23458 1/20 0.49
TYK2 P29597 1/20 0.49
GSK3B P49841 1/20 0.48
CCNE1 P24864 1/20 0.47
CDK2 P24941 1/20 0.47
CDK5 Q00535 1/20 0.47

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
SCHEMBL1105029 1.00 ULK1 (0.55) ULK1PRMT3IMPDH2SMYD3ROCK2
SCHEMBL11896089 1.00 ULK1 (0.55) ULK1PRMT3IMPDH2SMYD3ROCK2
SCHEMBL14146999 0.88 PRMT3 (0.60) PRMT3IMPDH2ROCK2ROCK1GSK3B
SCHEMBL14562537 0.88 GSK3B (0.59) ULK1PRMT3IMPDH2SMYD3GSK3B
SCHEMBL14562538 0.88 GSK3B (0.59) ULK1PRMT3IMPDH2SMYD3GSK3B
SCHEMBL1105185 0.88 GSK3B (0.59) ULK1PRMT3IMPDH2SMYD3GSK3B
SCHEMBL20353540 0.83 PRMT3 (0.61) PRMT3IMPDH2GSK3BCCNE1CDK2
SCHEMBL20353543 0.82 PRMT3 (0.62) PRMT3IMPDH2CCNE1CDK2CDK5
SCHEMBL1105034 0.80 IMPDH2 (0.56) PRMT3IMPDH2ROCK2ROCK1JAK2
SCHEMBL30664127 0.77 ULK1 (0.87) ULK1ROCK2ROCK1JAK2JAK1

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-8450344-B2 Beta- and gamma-amino-isoquinoline amide compounds and substituted benzamide compounds AERIE PHARMACEUTICALS, INC. (US) 2013-05-28 US disclosed
US-8450344-B2 Beta- and gamma-amino-isoquinoline amide compounds and substituted benzamide compounds AERIE PHARMACEUTICALS, INC. (US) 2013-05-28 US disclosed
US-8153656-B2 2012-04-10 US disclosed
US-8153656-B2 2012-04-10 US disclosed
US-20100022585-A1 BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS ALCON INC. (CH) 2010-01-28 US disclosed
US-20100022585-A1 BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS ALCON INC. (CH) 2010-01-28 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-20100022585-A1 BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS PRKCQ, UACA, BCAT2 ULK1 867/4885PRMT3 1466/4885IMPDH2 522/4885

“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.