SCHEMBL567678

SCHEMBL567678

CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)c2ccc3cnccc3c2-c2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.47
SKP1 P63208 2/20 0.47
SKP2 Q13309 2/20 0.47
GBA1 P04062 1/20 0.47
ROCK2 O75116 7/20 0.45
P2RX7 Q99572 6/20 0.43
ROCK1 Q13464 2/20 0.42
F13A1 P00488 2/20 0.41
TGM2 P21980 2/20 0.41
TGM1 P22735 2/20 0.41
MEN1 O00255 1/20 0.41
CIT O14578 1/20 0.41
DAPK3 O43293 1/20 0.41
RPS6KA5 O75582 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
LATS1 O95835 1/20 0.41
CHEK2 O96017 1/20 0.41
PRKCG P05129 1/20 0.41
PRKCB P05771 1/20 0.41

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
SCHEMBL567334 0.85 ROCK2 (0.47) ROCK2P2RX7ROCK1F13A1TGM2
SCHEMBL987296 0.85 ROCK2 (0.59) ROCK2P2RX7ROCK1MEN1CIT
SCHEMBL10135886 0.80 CKS1B (0.47) CKS1BSKP1SKP2GBA1P2RX7
SCHEMBL568155 0.78 ATM (0.50) ROCK2ROCK1F13A1TGM2TGM1
SCHEMBL567383 0.76 ROCK2 (0.69) ROCK2ROCK1MEN1CITDAPK3
SCHEMBL567385 0.76 ATM (0.50) ROCK2ROCK1F13A1TGM2TGM1
Hydrochloric Acid SCHEMBL566393 0.75 ROCK2 (0.70) ROCK2ROCK1MEN1CITDAPK3
SCHEMBL3248533 0.73 TGM2 (0.55) F13A1TGM2TGM1MEN1KMT2A
SCHEMBL2822142 0.73 TGM2 (0.53) F13A1TGM2TGM1CYP3A4GPR119
SCHEMBL567503 0.73 ATM (0.54) ROCK2ROCK1F13A1TGM2TGM1

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 CKS1B 1150/4885SKP1 842/4885SKP2 990/4885

“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.