SCHEMBL3221806

SCHEMBL3221806

CCC(N)C(=O)N1CCC(Oc2cc3cc[nH]c(=O)c3cc2Cl)CC1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 2/20 0.53
ROCK2 O75116 16/20 0.45
ROCK1 Q13464 1/20 0.41
SMYD3 Q9H7B4 1/20 0.40

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
SCHEMBL3221797 1.00 MAP2K1 (0.53) MAP2K1ROCK2ROCK1SMYD3
SCHEMBL3223776 0.93 MAP2K1 (0.52) MAP2K1ROCK2ROCK1SMYD3
SCHEMBL3224890 0.93 MAP2K1 (0.52) MAP2K1ROCK2ROCK1SMYD3
SCHEMBL3223207 0.91 ROCK2 (0.53) MAP2K1ROCK2ROCK1SMYD3
SCHEMBL3223200 0.91 ROCK2 (0.53) MAP2K1ROCK2ROCK1SMYD3
SCHEMBL12851334 0.90 MAP2K1 (0.54) MAP2K1ROCK2ROCK1
SCHEMBL3221655 0.90 MAP2K1 (0.56) MAP2K1ROCK2ROCK1SMYD3
SCHEMBL12851227 0.90 MAP2K1 (0.56) MAP2K1ROCK2ROCK1SMYD3
SCHEMBL3221643 0.90 MAP2K1 (0.56) MAP2K1ROCK2ROCK1SMYD3
SCHEMBL12851278 0.88 MAP2K1 (0.48) MAP2K1ROCK2ROCK1

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
EP-2102187-B1 SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES AS INHIBITORS OF RHO-KINASE SANOFI SA (FR) 2015-04-01 EP claimed
EP-2102187-B1 SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES AS INHIBITORS OF RHO-KINASE SANOFI SA (FR) 2015-04-01 EP disclosed
US-8461144-B2 Substituted isoquinoline and isoquinolinone derivatives SANOFI (FR) 2013-06-11 US disclosed
US-20120316152-A1 SUBSTITUTED ISOQUINOLINEAND ISOQUINOLINONE DERIVATIVES SANOFI (FR) 2012-12-13 US disclosed
US-8278294-B2 Substituted isoquinoline and isoquinolinone derivatives as inhibitors of Rho-kinase SANOFI (FR) 2012-10-02 US disclosed
US-20100063025-A1 Substituted isoquinoline and isoquinolinone derivatives as inhibitors of RHO-Kinase SANOFI-AVENTIS (FR) 2010-03-11 US disclosed
EP-2102187-A1 SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES AS INHIBITORS OF RHO-KINASE Sanofi-Aventis (FR) 2009-09-23 EP disclosed
WO-2008077550-A1 SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES AS INHIBITORS OF RHO-KINASE SANOFI-AVENTIS (FR) 2008-07-03 WO 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-20100063025-A1 Substituted isoquinoline and isoquinolinone derivatives as inhibitors of RHO-Kinase ROCK1, MYLK, ROCK2 MAP2K1 909/4885ROCK2 3/4885ROCK1 1/4885
US-20120316152-A1 SUBSTITUTED ISOQUINOLINEAND ISOQUINOLINONE DERIVATIVES MYLK2, RHOT2, MYLK MAP2K1 1731/4885ROCK2 9/4885ROCK1 11/4885

“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.