SCHEMBL3316152

SCHEMBL3316152

c1cc(CN(c2ccc3cnccc3c2)C2CCNCC2)ccn1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 15/20 0.56
SLC6A4 P31645 15/20 0.56
SLC6A3 Q01959 15/20 0.56
IKBKB O14920 3/20 0.44
PRKCZ Q05513 1/20 0.43
ROCK1 Q13464 2/20 0.42
CHUK O15111 2/20 0.40
LCK P06239 1/20 0.40

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
SCHEMBL3315032 0.93 SLC6A2 (0.65) SLC6A2SLC6A4SLC6A3IKBKBCHUK
SCHEMBL3314644 0.90 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3IKBKBPRKCZ
SCHEMBL3315001 0.78 IKBKB (0.49) SLC6A2SLC6A4SLC6A3IKBKBPRKCZ
Hydrochloric Acid SCHEMBL23360072 0.77 IKBKB (0.48) SLC6A2SLC6A4SLC6A3IKBKBPRKCZ
Hydrochloric Acid SCHEMBL29862799 0.77 IKBKB (0.48) SLC6A2SLC6A4SLC6A3IKBKBPRKCZ
Hydrochloric Acid SCHEMBL29862933 0.72 IKBKB (0.51) SLC6A2SLC6A4SLC6A3IKBKBPRKCZ
Hydrochloric Acid SCHEMBL23360215 0.72 IKBKB (0.51) SLC6A2SLC6A4SLC6A3IKBKBPRKCZ
SCHEMBL312413 0.71 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3ROCK1
SCHEMBL5649555 0.70 SLC6A4 (0.50) SLC6A2SLC6A4SLC6A3
SCHEMBL3314997 0.69 IKBKB (0.48) IKBKBPRKCZROCK1CHUKLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748614-B2 Substituted isoquinoline and isoquinolinone derivatives SANOFI (FR) 2014-06-10 US disclosed
US-8748614-B2 Substituted isoquinoline and isoquinolinone derivatives SANOFI (FR) 2014-06-10 US disclosed
US-8748614-B2 Substituted isoquinoline and isoquinolinone derivatives SANOFI (FR) 2014-06-10 US disclosed
US-20100105650-A1 Substituted isoquinoline and isoquinolinone derivatives SANOFI-AVENTIS (FR) 2010-04-29 US disclosed
US-20100105650-A1 Substituted isoquinoline and isoquinolinone derivatives SANOFI-AVENTIS (FR) 2010-04-29 US disclosed
US-20100105650-A1 Substituted isoquinoline and isoquinolinone derivatives SANOFI-AVENTIS (FR) 2010-04-29 US disclosed
EP-2114920-A1 SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES Sanofi-Aventis (FR) 2009-11-11 EP disclosed
WO-2008077552-A1 SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-07-03 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-20100105650-A1 Substituted isoquinoline and isoquinolinone derivatives MYLK2, MYLK, MYLK3 SLC6A2 2757/4885SLC6A4 3622/4885SLC6A3 3680/4885

“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.