SCHEMBL567640

SCHEMBL567640

CC(C)(C)OC(=O)NC1CCN(S(=O)(=O)c2ccc3cnccc3c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.51
JAK2 O60674 2/20 0.47
ROCK2 O75116 2/20 0.47
ROCK1 Q13464 2/20 0.47
JAK3 P52333 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
PKM P14618 2/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.45
GAA P10253 1/20 0.44
CKS1B P61024 1/20 0.43
SKP1 P63208 1/20 0.43
SKP2 Q13309 1/20 0.43
LMNA P02545 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
ATM Q13315 1/20 0.42
EPHX2 P34913 1/20 0.42
F10 P00742 1/20 0.42

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
SCHEMBL566222 0.94 BRD4 (0.46) NAMPTJAK2ROCK2ROCK1JAK3
SCHEMBL566221 0.94 BRD4 (0.46) NAMPTJAK2ROCK2ROCK1JAK3
SCHEMBL567245 0.94 BRD4 (0.46) NAMPTJAK2ROCK2ROCK1JAK3
SCHEMBL567503 0.81 ATM (0.54) JAK2ROCK2ROCK1JAK3SMN1; SMN2
SCHEMBL6240934 0.80 ROCK2 (0.59) ROCK2ROCK1SMN1; SMN2HTTMEN1
SCHEMBL14848178 0.80 SMN1; SMN2 (0.53) NAMPTSMN1; SMN2PKMHTTRAB9A
SCHEMBL24711476 0.79 GAA (0.54) NAMPTSMN1; SMN2PKMHTTGAA
SCHEMBL1571968 0.79 PRMT3 (0.52) CKS1BSKP1SKP2
SCHEMBL568073 0.79 PKM (0.62) JAK2ROCK2ROCK1JAK3PKM
SCHEMBL10135596 0.79 MCHR1 (0.50)

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 NAMPT 2732/4885JAK2 575/4885ROCK2 1689/4885

“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.