SCHEMBL566976

SCHEMBL566976

CC1CCNCCN1S(=O)(=O)c1ccc2cnccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 6/20 0.53
ROCK2 O75116 5/20 0.53
JAK2 O60674 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
PRKCZ Q05513 4/20 0.49
PRKD3 O94806 3/20 0.49
PRKCG P05129 3/20 0.49
PRKCB P05771 3/20 0.49
PRKCA P17252 3/20 0.49
PRKACA P17612 3/20 0.49
PRKACG P22612 3/20 0.49
PRKACB P22694 3/20 0.49
PRKCH P24723 3/20 0.49
PRKCI P41743 3/20 0.49
PRKCE Q02156 3/20 0.49
PRKCQ Q04759 3/20 0.49
PRKCD Q05655 3/20 0.49
PRKD1 Q15139 3/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C19 P33261 2/20 0.49

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
SCHEMBL566975 1.00 ROCK1 (0.53) ROCK1ROCK2JAK2SMN1; SMN2PRKCZ
SCHEMBL567167 1.00 ROCK1 (0.53) ROCK1ROCK2JAK2SMN1; SMN2PRKCZ
Hydrochloric Acid SCHEMBL567209 0.99 ROCK1 (0.53) ROCK1ROCK2JAK2SMN1; SMN2PRKCZ
Hydrochloric Acid SCHEMBL567313 0.99 ROCK1 (0.53) ROCK1ROCK2JAK2SMN1; SMN2PRKCZ
Hydrochloric Acid SCHEMBL567794 0.99 ROCK1 (0.53) ROCK1ROCK2JAK2SMN1; SMN2PRKCZ
SCHEMBL567688 0.93 ROCK1 (0.48) ROCK1ROCK2JAK2SMN1; SMN2PRKCZ
SCHEMBL567317 0.93 ROCK1 (0.47) ROCK1ROCK2JAK2SMN1; SMN2PRKCZ
SCHEMBL566186 0.93 ROCK1 (0.47) ROCK1ROCK2JAK2SMN1; SMN2PRKCZ
SCHEMBL566187 0.93 ROCK1 (0.47) ROCK1ROCK2JAK2SMN1; SMN2PRKCZ
SCHEMBL567687 0.93 ROCK1 (0.48) ROCK1ROCK2JAK2SMN1; SMN2PRKCZ

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 12 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
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.