SCHEMBL567505

SCHEMBL567505

CNCC(=O)N1CCCCN(S(=O)(=O)c2ccc3cnccc3c2)C(C)C1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRMT3 O60678 14/20 0.49
JAK2 O60674 2/20 0.41
ROCK2 O75116 2/20 0.41
ROCK1 Q13464 2/20 0.41
JAK3 P52333 1/20 0.41
NAMPT P43490 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
MMP1 P03956 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37

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
SCHEMBL567504 1.00 PRMT3 (0.49) PRMT3JAK2ROCK2ROCK1JAK3
Hydrochloric Acid SCHEMBL567467 0.99 PRMT3 (0.48) PRMT3JAK2ROCK2ROCK1JAK3
Hydrochloric Acid SCHEMBL567468 0.99 PRMT3 (0.48) PRMT3JAK2ROCK2ROCK1JAK3
SCHEMBL567154 0.89 MMP1 (0.46) PRMT3JAK2ROCK2ROCK1JAK3
SCHEMBL567155 0.89 MMP1 (0.46) PRMT3JAK2ROCK2ROCK1JAK3
Hydrochloric Acid SCHEMBL567830 0.88 MMP1 (0.47) PRMT3JAK2ROCK2ROCK1JAK3
Hydrochloric Acid SCHEMBL567829 0.88 MMP1 (0.47) PRMT3JAK2ROCK2ROCK1JAK3
SCHEMBL568035 0.87 MMP1 (0.48) PRMT3JAK2ROCK2ROCK1JAK3
SCHEMBL568036 0.87 MMP1 (0.48) PRMT3JAK2ROCK2ROCK1JAK3
SCHEMBL28637058 0.86 JAK2 (0.42) PRMT3JAK2ROCK2ROCK1JAK3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035159-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE D. WESTERN THERAPEUTICS INSTITUTE, INC (JP) 2012-02-09 US claimed
US-8951997-B2 Substituted isoquinoline derivative D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) 2015-02-10 US disclosed
US-20120035159-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE D. WESTERN THERAPEUTICS INSTITUTE, INC (JP) 2012-02-09 US 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 PRMT3 237/4885JAK2 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.