SCHEMBL567638

SCHEMBL567638

C[C@@H]1CNCCCCN1S(=O)(=O)c1ccc2cnccc2c1Br

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCD Q05655 7/20 0.63
PRKACA P17612 6/20 0.63
PRKD3 O94806 6/20 0.63
PRKCZ Q05513 6/20 0.63
PRKACG P22612 5/20 0.63
PRKACB P22694 5/20 0.63
PRKCG P05129 5/20 0.63
PRKCB P05771 5/20 0.63
PRKCA P17252 5/20 0.63
PRKCH P24723 5/20 0.63
PRKCI P41743 5/20 0.63
PRKCE Q02156 5/20 0.63
PRKCQ Q04759 5/20 0.63
PRKD1 Q15139 5/20 0.63
CYP3A4 P08684 4/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
CYP2D6 P10635 3/20 0.63
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
HTT P42858 2/20 0.63

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
SCHEMBL567639 1.00 PRKCD (0.63) PRKCDPRKACAPRKD3PRKCZPRKACG
Hydrochloric Acid SCHEMBL566273 0.99 PRKCD (0.64) PRKCDPRKACAPRKD3PRKCZPRKACG
Hydrochloric Acid SCHEMBL566274 0.99 PRKCD (0.64) PRKCDPRKACAPRKD3PRKCZPRKACG
SCHEMBL566375 0.97 PRKCD (0.64) PRKCDPRKACAPRKD3PRKCZPRKACG
SCHEMBL566374 0.97 PRKCD (0.64) PRKCDPRKACAPRKD3PRKCZPRKACG
SCHEMBL567445 0.97 PRKCD (0.64) PRKCDPRKACAPRKD3PRKCZPRKACG
Hydrochloric Acid SCHEMBL567555 0.96 PRKCD (0.65) PRKCDPRKACAPRKD3PRKCZPRKACG
Hydrochloric Acid SCHEMBL567556 0.96 PRKCD (0.65) PRKCDPRKACAPRKD3PRKCZPRKACG
Hydrochloric Acid SCHEMBL568137 0.96 PRKCD (0.65) PRKCDPRKACAPRKD3PRKCZPRKACG
SCHEMBL567614 0.86 PRKCD (0.59) PRKCDPRKACAPRKD3PRKCZPRKACG

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 13 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
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 PRKCD 3122/4885PRKACA 4256/4885PRKD3 1746/4885

“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.