SCHEMBL14990401

SCHEMBL14990401

CC1CN(C(=O)O)CCCN1S(=O)(=O)c1cccc2cncc(F)c12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 12/20 0.68
ROCK1 Q13464 12/20 0.68
PRKCD Q05655 4/20 0.65
PLK4 O00444 2/20 0.65
MARK3 P27448 2/20 0.65
PRKAA1 Q13131 2/20 0.65
PKN2 Q16513 2/20 0.65
MARK2 Q7KZI7 2/20 0.65
AURKB Q96GD4 2/20 0.65
PRKD2 Q9BZL6 2/20 0.65
NQO2 P16083 1/20 0.65
MAP2K3 P46734 1/20 0.65
CDK9 P50750 1/20 0.65
PRKAG1 P54619 1/20 0.65
PKN1 Q16512 1/20 0.65
MAP4K3 Q8IVH8 1/20 0.65
TAOK3 Q9H2K8 1/20 0.65
PRKACA P17612 4/20 0.52
PRKD3 O94806 3/20 0.52
PRKCZ Q05513 3/20 0.52

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
SCHEMBL13606925 0.89 ROCK2 (0.67) ROCK2ROCK1PRKCDPLK4MARK3
SCHEMBL13606942 0.89 ROCK2 (0.67) ROCK2ROCK1PRKCDPLK4MARK3
SCHEMBL14307882 0.88 ROCK2 (0.64) ROCK2ROCK1PRKCDPLK4MARK3
Hydrochloric Acid SCHEMBL4897166 0.88 ROCK2 (0.66) ROCK2ROCK1PRKCDPLK4MARK3
SCHEMBL14990561 0.88 ROCK2 (0.70) ROCK2ROCK1PRKCDPLK4MARK3
Hydrochloric Acid SCHEMBL4897175 0.88 ROCK2 (0.66) ROCK2ROCK1PRKCDPLK4MARK3
SCHEMBL13606931 0.88 ROCK2 (0.64) ROCK2ROCK1PRKCDPLK4MARK3
SCHEMBL13606929 0.88 ROCK2 (0.64) ROCK2ROCK1PRKCDPLK4MARK3
SCHEMBL31541 0.88 ROCK2 (0.70) ROCK2ROCK1PRKCDPLK4MARK3
SCHEMBL13606943 0.87 ROCK2 (0.63) ROCK2ROCK1PRKCDPLK4MARK3

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-9540344-B2 Production method for isoquinoline derivatives and salts thereof KOWA CO., LTD. (JP) 2017-01-10 US disclosed
US-9045460-B2 Production method for isoquinoline derivatives and salts thereof KOWA CO., LTD. (JP) 2015-06-02 US disclosed
US-20150087824-A1 NOVEL PRODUCTION METHOD FOR ISOQUINOLINE DERIVATIVES AND SALTS THEREOF KOWA CO., LTD. (JP) 2015-03-26 US disclosed
EP-2818463-A1 Production method of 1,4-diazepane derivatives Kowa Co., Ltd. (JP) 2014-12-31 EP disclosed
EP-2610252-A1 NOVEL PRODUCTION METHOD FOR ISOQUINOLINE DERIVATIVES AND SALTS THEREOF Kowa Co., Ltd. (JP) 2013-07-03 EP disclosed
US-20130144054-A1 NOVEL PRODUCTION METHOD FOR ISOQUINOLINE DERIVATIVES AND SALTS THEREOF KOWA CO., LTD. (JP) 2013-06-06 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-20130144054-A1 NOVEL PRODUCTION METHOD FOR ISOQUINOLINE DERIVATIVES AND SALTS THEREOF NOS2, NOS3, NOS1 ROCK2 59/4885ROCK1 95/4885PRKCD 2704/4885
US-20150087824-A1 NOVEL PRODUCTION METHOD FOR ISOQUINOLINE DERIVATIVES AND SALTS THEREOF NOS2, NOS3, NOS1 ROCK2 59/4885ROCK1 95/4885PRKCD 2704/4885

“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.