SCHEMBL568035

SCHEMBL568035

C[C@H]1CN(C(=O)CN)CCCN1S(=O)(=O)c1ccc2cnccc2c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.48
MMP13 P45452 3/20 0.48
MMP9 P14780 2/20 0.48
ADAM17 P78536 1/20 0.44
PRMT3 O60678 7/20 0.44
ROCK2 O75116 8/20 0.42
ROCK1 Q13464 8/20 0.42
JAK2 O60674 2/20 0.40
JAK3 P52333 1/20 0.40
NAMPT P43490 1/20 0.38

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
SCHEMBL568036 1.00 MMP1 (0.48) MMP1MMP13MMP9ADAM17PRMT3
Hydrochloric Acid SCHEMBL566458 0.99 MMP1 (0.49) MMP1MMP13MMP9ADAM17PRMT3
Hydrochloric Acid SCHEMBL566459 0.99 MMP1 (0.49) MMP1MMP13MMP9ADAM17PRMT3
SCHEMBL567154 0.98 MMP1 (0.46) MMP1MMP13MMP9ADAM17PRMT3
SCHEMBL567155 0.98 MMP1 (0.46) MMP1MMP13MMP9ADAM17PRMT3
Hydrochloric Acid SCHEMBL567829 0.97 MMP1 (0.47) MMP1MMP13MMP9ADAM17PRMT3
Hydrochloric Acid SCHEMBL567830 0.97 MMP1 (0.47) MMP1MMP13MMP9ADAM17PRMT3
SCHEMBL567504 0.87 PRMT3 (0.49) MMP1MMP13MMP9PRMT3ROCK2
SCHEMBL567505 0.87 PRMT3 (0.49) MMP1MMP13MMP9PRMT3ROCK2
SCHEMBL28637058 0.86 JAK2 (0.42) PRMT3ROCK2ROCK1JAK2JAK3

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 12 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 claimed
US-8951997-B2 Substituted isoquinoline derivative D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) 2015-02-10 US claimed
EP-2444395-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE D. Western Therapeutics Institute, Inc. (JP) 2012-04-25 EP claimed
US-20120035159-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE D. WESTERN THERAPEUTICS INSTITUTE, INC (JP) 2012-02-09 US claimed
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
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 MMP1 4000/4885MMP13 4729/4885MMP9 4791/4885

“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.