SCHEMBL111702

SCHEMBL111702

CC(C(=O)Nc1ccc2cnccc2c1)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 15/20 0.73
ROCK1 Q13464 2/20 0.73
IMPDH2 P12268 3/20 0.64

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
SCHEMBL21412805 0.89 ROCK2 (0.71) ROCK2ROCK1IMPDH2
SCHEMBL23453283 0.89 ROCK2 (0.69) ROCK2ROCK1IMPDH2
SCHEMBL18092568 0.88 ROCK2 (0.59) ROCK2ROCK1IMPDH2
SCHEMBL1105147 0.85 ROCK2 (0.70) ROCK2ROCK1IMPDH2
SCHEMBL14642643 0.85 ROCK2 (0.70) ROCK2ROCK1IMPDH2
SCHEMBL22898371 0.85 ROCK2 (0.73) ROCK2ROCK1IMPDH2
SCHEMBL25561859 0.85 ROCK2 (1.00) ROCK2ROCK1IMPDH2
SCHEMBL1105146 0.85 ROCK2 (1.00) ROCK2ROCK1IMPDH2
SCHEMBL13764336 0.85 ROCK2 (1.00) ROCK2ROCK1IMPDH2
SCHEMBL1095296 0.85 ROCK2 (0.73) ROCK2ROCK1IMPDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024071371-A1 HETEROCYCLIC COMPOUND ユビエンス株式会社 2024-04-04 WO disclosed
US-8871757-B2 6-and 7-amino isoquinoline compounds and methods for making and using the same AERIE PHARMACEUTICALS, INC. (US) 2014-10-28 US disclosed
US-8455514-B2 6-and 7-amino isoquinoline compounds and methods for making and using the same AERIE PHARMACEUTICALS, INC. (US) 2013-06-04 US disclosed
US-8153654-B2 2012-04-10 US disclosed
EP-2424842-A2 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE Aerie Pharmaceuticals, Inc. (US) 2012-03-07 EP disclosed
EP-2424857-A1 DUAL-ACTION INHIBITORS AND METHODS OF USING SAME Aerie Pharmaceuticals, Inc. (US) 2012-03-07 EP disclosed
US-20100144713-A1 6-AND 7-AMINO ISOQUINOLINE COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME AERIE PHARMACEUTICALS, INC. (US) 2010-06-10 US disclosed
US-20090186917-A1 6-And 7-amino isoquinoline compounds and methods for making and using the same AERIE PHARMACEUTICALS, INC. (US) 2009-07-23 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-20100144713-A1 6-AND 7-AMINO ISOQUINOLINE COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME COQ8A, MAP3K7, PRKG2 ROCK2 214/4885ROCK1 304/4885IMPDH2 862/4885
US-20090186917-A1 6-And 7-amino isoquinoline compounds and methods for making and using the same COQ8A, MAP3K7, PRKG2 ROCK2 214/4885ROCK1 304/4885IMPDH2 862/4885

“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.