SCHEMBL567352

SCHEMBL567352

C[C@@H]1CCN(S(=O)(=O)c2ccc3cnccc3c2)CCNC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.57
ROCK2 O75116 2/20 0.57
ROCK1 Q13464 2/20 0.57
LMNA P02545 1/20 0.55
MCOLN3 Q8TDD5 1/20 0.55
PKM P14618 1/20 0.51
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
JAK3 P52333 1/20 0.48
NPSR1 Q6W5P4 1/20 0.45
MAPT P10636 2/20 0.45
HSD17B10 Q99714 2/20 0.44
POLB P06746 1/20 0.44
TP53 P04637 2/20 0.43
PRKD3 O94806 2/20 0.43
PRKCG P05129 2/20 0.43
PRKCB P05771 2/20 0.43
CYP3A4 P08684 2/20 0.43
PRKCA P17252 2/20 0.43
PRKACA P17612 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
SCHEMBL567353 1.00 JAK2 (0.57) JAK2ROCK2ROCK1LMNAMCOLN3
Hydrochloric Acid SCHEMBL566474 0.99 JAK2 (0.56) JAK2ROCK2ROCK1LMNAMCOLN3
Hydrochloric Acid SCHEMBL566473 0.99 JAK2 (0.56) JAK2ROCK2ROCK1LMNAMCOLN3
SCHEMBL567602 0.86 PKM (0.68) JAK2ROCK2ROCK1LMNAMCOLN3
Hydrochloric Acid SCHEMBL567331 0.85 PKM (0.66) JAK2ROCK2ROCK1LMNAMCOLN3
SCHEMBL567735 0.85 ROCK1 (0.55) JAK2ROCK2ROCK1LMNAMCOLN3
SCHEMBL567736 0.85 ROCK1 (0.55) JAK2ROCK2ROCK1LMNAMCOLN3
Hydrochloric Acid SCHEMBL567394 0.84 ROCK1 (0.54) JAK2ROCK2ROCK1LMNAMCOLN3
Hydrochloric Acid SCHEMBL567393 0.84 ROCK1 (0.54) JAK2ROCK2ROCK1LMNAMCOLN3
SCHEMBL567535 0.82 PKM (0.61) JAK2ROCK2ROCK1MCOLN3PKM

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 JAK2 575/4885ROCK2 1689/4885ROCK1 1837/4885

“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.