Sugi Predict

Sugi Predict / Compounds / SCHEMBL568151

SCHEMBL568151

SCHEMBL568151

CCCCN(C(=O)OC(C)(C)C)[C@H]1CCN(S(=O)(=O)c2ccc3cnccc3c2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 4/20 0.41
▸ ROCK1 Q13464 4/20 0.41
▸ NAMPT P43490 3/20 0.40
▸ JAK2 O60674 3/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ AKR1C3 P42330 1/20 0.38
▸ AKR1C1 Q04828 1/20 0.38
▸ CHRM5 P08912 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL568152 1.00 ROCK2 (0.41) ROCK2ROCK1NAMPTJAK2JAK3
SCHEMBL566615 0.85 KDM4D (0.44) ROCK2ROCK1NAMPTJAK2JAK3
SCHEMBL566614 0.85 KDM4D (0.44) ROCK2ROCK1NAMPTJAK2JAK3
SCHEMBL10135619 0.82 LTA4H (0.41) ROCK2ROCK1KMT2A
SCHEMBL566222 0.76 BRD4 (0.46) ROCK2ROCK1NAMPTJAK2JAK3
SCHEMBL566221 0.76 BRD4 (0.46) ROCK2ROCK1NAMPTJAK2JAK3
SCHEMBL567245 0.76 BRD4 (0.46) ROCK2ROCK1NAMPTJAK2JAK3
SCHEMBL567640 0.73 NAMPT (0.51) ROCK2ROCK1NAMPTJAK2JAK3
SCHEMBL567187 0.72 ADRB3 (0.43) ROCK2ROCK1NAMPTJAK2JAK3
SCHEMBL567188 0.72 ADRB3 (0.43) ROCK2ROCK1NAMPTJAK2JAK3

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 9 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 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 ROCK2 1689/4885ROCK1 1837/4885NAMPT 2732/4885

“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.