SCHEMBL567619

SCHEMBL567619

O=S(=O)(c1ccc2cnccc2c1)N1CCCNC[C@H]1CF

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 10/20 0.42
ROCK2 O75116 9/20 0.42
JAK2 O60674 4/20 0.42
JAK3 P52333 2/20 0.42
IKBKB O14920 2/20 0.39
CHUK O15111 2/20 0.39
PRKCD Q05655 4/20 0.39
PKN2 Q16513 3/20 0.39
AURKB Q96GD4 3/20 0.39
PRKD2 Q9BZL6 3/20 0.39
PLK4 O00444 2/20 0.39
MARK3 P27448 2/20 0.39
PRKAA1 Q13131 2/20 0.39
MARK2 Q7KZI7 2/20 0.39
NQO2 P16083 2/20 0.39
CDK9 P50750 2/20 0.39
PKN1 Q16512 2/20 0.39
MAP2K3 P46734 1/20 0.39
PRKAG1 P54619 1/20 0.39
MAP4K3 Q8IVH8 1/20 0.39

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
SCHEMBL567620 1.00 ROCK1 (0.42) ROCK1ROCK2JAK2JAK3IKBKB
Hydrochloric Acid SCHEMBL567760 0.99 ROCK1 (0.42) ROCK1ROCK2JAK2JAK3IKBKB
Hydrochloric Acid SCHEMBL567761 0.99 ROCK1 (0.42) ROCK1ROCK2JAK2JAK3IKBKB
SCHEMBL567071 0.97 ROCK1 (0.42) ROCK1ROCK2JAK2JAK3IKBKB
SCHEMBL567072 0.97 ROCK1 (0.42) ROCK1ROCK2JAK2JAK3IKBKB
Hydrochloric Acid SCHEMBL567136 0.96 ROCK1 (0.41) ROCK1ROCK2JAK2JAK3IKBKB
Hydrochloric Acid SCHEMBL567137 0.96 ROCK1 (0.41) ROCK1ROCK2JAK2JAK3IKBKB
SCHEMBL567302 0.90 POLB (0.48) ROCK1ROCK2JAK2JAK3IKBKB
SCHEMBL567301 0.90 POLB (0.48) ROCK1ROCK2JAK2JAK3IKBKB
Hydrochloric Acid SCHEMBL568052 0.89 POLB (0.47) ROCK1ROCK2JAK2JAK3IKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2444395-B1 SUBSTITUTED ISOQUINOLINE DERIVATIVE WESTERN THERAPEUTICS INST INC D (JP) 2016-01-06 EP claimed
US-8951997-B2 Substituted isoquinoline derivative D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) 2015-02-10 US claimed
EP-2444395-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE D. Western Therapeutics Institute, Inc. (JP) 2012-04-25 EP claimed
US-20120035159-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE D. WESTERN THERAPEUTICS INSTITUTE, INC (JP) 2012-02-09 US claimed
EP-2444395-B1 SUBSTITUTED ISOQUINOLINE DERIVATIVE WESTERN THERAPEUTICS INST INC D (JP) 2016-01-06 EP disclosed
EP-2444395-B1 SUBSTITUTED ISOQUINOLINE DERIVATIVE WESTERN THERAPEUTICS INST INC D (JP) 2016-01-06 EP disclosed
US-8951997-B2 Substituted isoquinoline derivative D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) 2015-02-10 US disclosed
US-8951997-B2 Substituted isoquinoline derivative D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) 2015-02-10 US disclosed
EP-2444395-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE D. Western Therapeutics Institute, Inc. (JP) 2012-04-25 EP disclosed
EP-2444395-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE D. Western Therapeutics Institute, Inc. (JP) 2012-04-25 EP disclosed
US-20120035159-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE D. WESTERN THERAPEUTICS INSTITUTE, INC (JP) 2012-02-09 US disclosed
US-20120035159-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE D. WESTERN THERAPEUTICS INSTITUTE, INC (JP) 2012-02-09 US disclosed
WO-2010146881-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE 株式会社デ・ウエスタン・セラピテクス研究所 (JP) 2010-12-23 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 (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-20120035159-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE SULT1A1, SULT1E1, SULT2A1 ROCK1 1837/4885ROCK2 1689/4885JAK2 575/4885

“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.