SCHEMBL2239481

SCHEMBL2239481

COc1nccc2c(Cl)c(F)ccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.37
HASPIN Q8TF76 1/20 0.35
DYRK2 Q92630 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
ALDH1A1 P00352 1/20 0.34
PDCD1LG2 Q9BQ51 2/20 0.34
CD274 Q9NZQ7 2/20 0.34
DYRK1A Q13627 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
GAK O14976 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CCR4 P51679 1/20 0.33
MAPT P10636 2/20 0.33
KDR P35968 1/20 0.33
KMT2A Q03164 1/20 0.33
GRM2 Q14416 1/20 0.32

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
SCHEMBL12780743 0.81 CYP19A1 (0.48) TRPA1HASPINDYRK2CYP1A2CYP2C19
SCHEMBL21598410 0.80 CCR4 (0.37) TRPA1CYP1A2CYP2C19PDCD1LG2CD274
SCHEMBL2339093 0.76 MAPT (0.48) CYP1A2CYP2C19DYRK1ACYP3A4CYP2D6
SCHEMBL16681624 0.76 TRPA1 (0.35) TRPA1HASPINDYRK2CYP1A2CYP2C19
SCHEMBL8272299 0.75 ALDH1A1 (0.45) TRPA1HASPINCYP1A2CYP2C19ALDH1A1
SCHEMBL2333483 0.74 LMNA (0.33) ALDH1A1MAPK1MAPT
SCHEMBL8273095 0.74 MAOA (0.39) CYP1A2CYP2C19ALDH1A1DYRK1AGAK
SCHEMBL8272295 0.71 CYP1A2 (0.48) CYP1A2CYP2C19ALDH1A1CYP3A4CYP2C9
SCHEMBL2238922 0.71 TRPA1 (0.38) TRPA1HASPINDYRK2CYP1A2CYP2C19
SCHEMBL15195532 0.70 TNF (0.46) TRPA1CYP1A2CYP2C19CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2303846-B1 SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES AS RHO KINASE INHIBITORS SANOFI SA (FR) 2015-04-29 EP disclosed
US-8541449-B2 Substituted isoquinolines and isoquinolinones as Rho kinase inhibitors SANOFI (FR) 2013-09-24 US disclosed
US-8541449-B2 Substituted isoquinolines and isoquinolinones as Rho kinase inhibitors SANOFI (FR) 2013-09-24 US disclosed
US-8541449-B2 Substituted isoquinolines and isoquinolinones as Rho kinase inhibitors SANOFI (FR) 2013-09-24 US disclosed
EP-2313374-B1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES SANOFI SA (FR) 2013-09-18 EP disclosed
EP-2313374-B1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES SANOFI SA (FR) 2013-09-18 EP disclosed
US-20130109715-A1 6-Substituted isoquinolines and isoquinolinones SANOFI (FR) 2013-05-02 US disclosed
US-20130109715-A1 6-Substituted isoquinolines and isoquinolinones SANOFI (FR) 2013-05-02 US disclosed
US-20130109715-A1 6-Substituted isoquinolines and isoquinolinones SANOFI (FR) 2013-05-02 US disclosed
US-8399482-B2 6-substituted isoquinolines and isoquinolinones SANOFI (FR) 2013-03-19 US disclosed
US-8399482-B2 6-substituted isoquinolines and isoquinolinones SANOFI (FR) 2013-03-19 US disclosed
US-8399482-B2 6-substituted isoquinolines and isoquinolinones SANOFI (FR) 2013-03-19 US disclosed
US-20110190339-A1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES SANOFI-AVENTIS (FR) 2011-08-04 US disclosed
US-20110190339-A1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES SANOFI-AVENTIS (FR) 2011-08-04 US disclosed
US-20110190339-A1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES SANOFI-AVENTIS (FR) 2011-08-04 US disclosed
US-20110190341-A1 SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES AS RHO KINASE INHIBITORS SANOFI-AVENTIS (FR) 2011-08-04 US disclosed
US-20110190341-A1 SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES AS RHO KINASE INHIBITORS SANOFI-AVENTIS (FR) 2011-08-04 US disclosed
US-20110190341-A1 SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES AS RHO KINASE INHIBITORS SANOFI-AVENTIS (FR) 2011-08-04 US disclosed
WO-2009156099-A1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES SANOFI-AVENTIS (FR) 2009-12-30 WO disclosed
WO-2009156100-A1 SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES AS RHO KINASE INHIBITORS SANOFI-AVENTIS (FR) 2009-12-30 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 (3 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-20110190341-A1 SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES AS RHO KINASE INHIBITORS ROCK1, MYLK, ROCK2 TRPA1 4866/4885HASPIN 707/4885DYRK2 936/4885
US-20110190339-A1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES MYLK2, MYLK, MYLK3 TRPA1 4859/4885HASPIN 786/4885DYRK2 1607/4885
US-20130109715-A1 6-Substituted isoquinolines and isoquinolinones MYLK2, MYLK, MYLK3 TRPA1 4871/4885HASPIN 645/4885DYRK2 2114/4885

“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.