SCHEMBL567503

SCHEMBL567503

CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc3cnccc3c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.54
▸ TGM2 P21980 10/20 0.53
▸ F13A1 P00488 7/20 0.53
▸ TGM1 P22735 4/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ LMNA P02545 1/20 0.52
▸ JAK2 O60674 1/20 0.48
▸ ROCK2 O75116 1/20 0.48
▸ JAK3 P52333 1/20 0.48
▸ ROCK1 Q13464 1/20 0.48
▸ PKM P14618 2/20 0.47
▸ F10 P00742 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ MGLL Q99685 1/20 0.47
▸ GAA P10253 1/20 0.47

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
SCHEMBL568155 0.96 ATM (0.50) ATMTGM2F13A1TGM1SMN1; SMN2
SCHEMBL567385 0.96 ATM (0.50) ATMTGM2F13A1TGM1SMN1; SMN2
SCHEMBL6790392 0.85 PKM (0.65) ATMTGM2F13A1TGM1SMN1; SMN2
SCHEMBL567177 0.85 NAMPT (0.45) ROCK2ROCK1
SCHEMBL567178 0.85 NAMPT (0.45) ROCK2ROCK1
SCHEMBL566271 0.85 MMP1 (0.48) —
SCHEMBL566272 0.85 MMP1 (0.48) —
SCHEMBL568116 0.84 MMP1 (0.49) —
SCHEMBL568117 0.84 MMP1 (0.49) —
SCHEMBL567260 0.83 MMP1 (0.43) —

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 ATM 3162/4885TGM2 3697/4885F13A1 2247/4885

“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.

Send feedback