SCHEMBL567735

SCHEMBL567735

C[C@@H]1CCNCCN(S(=O)(=O)c2ccc3cnccc3c2)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 6/20 0.55
ROCK2 O75116 5/20 0.55
JAK2 O60674 4/20 0.55
PKM P14618 1/20 0.51
LMNA P02545 1/20 0.46
MCOLN3 Q8TDD5 1/20 0.46
JAK3 P52333 3/20 0.44
CYP3A4 P08684 3/20 0.43
PRKD3 O94806 3/20 0.43
PRKCG P05129 3/20 0.43
PRKCB P05771 3/20 0.43
PRKCA P17252 3/20 0.43
PRKCH P24723 3/20 0.43
PRKCI P41743 3/20 0.43
PRKCE Q02156 3/20 0.43
PRKCQ Q04759 3/20 0.43
PRKCZ Q05513 3/20 0.43
PRKCD Q05655 3/20 0.43
PRKD1 Q15139 3/20 0.43
CYP2D6 P10635 2/20 0.43

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
SCHEMBL567736 1.00 ROCK1 (0.55) ROCK1ROCK2JAK2PKMLMNA
Hydrochloric Acid SCHEMBL567394 0.99 ROCK1 (0.54) ROCK1ROCK2JAK2PKMLMNA
Hydrochloric Acid SCHEMBL567393 0.99 ROCK1 (0.54) ROCK1ROCK2JAK2PKMLMNA
SCHEMBL567602 0.86 PKM (0.68) ROCK1ROCK2JAK2PKMLMNA
Hydrochloric Acid SCHEMBL567331 0.85 PKM (0.66) ROCK1ROCK2JAK2PKMLMNA
SCHEMBL567352 0.85 JAK2 (0.57) ROCK1ROCK2JAK2PKMLMNA
SCHEMBL567353 0.85 JAK2 (0.57) ROCK1ROCK2JAK2PKMLMNA
Hydrochloric Acid SCHEMBL566474 0.84 JAK2 (0.56) ROCK1ROCK2JAK2PKMLMNA
Hydrochloric Acid SCHEMBL566473 0.84 JAK2 (0.56) ROCK1ROCK2JAK2PKMLMNA
SCHEMBL566975 0.82 ROCK1 (0.53) ROCK1ROCK2JAK2PKMLMNA

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.