SCHEMBL3319677

SCHEMBL3319677

c1cc2cc(N[C@@H]3CCNC3)ccc2cn1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 9/20 0.54
ROCK1 Q13464 2/20 0.49
IKBKB O14920 1/20 0.46
AXL P30530 3/20 0.46
JAK2 O60674 1/20 0.45
ROCK2 O75116 1/20 0.45
JAK3 P52333 1/20 0.45
ITK Q08881 1/20 0.45
PRKD2 Q9BZL6 6/20 0.45
PRMT3 O60678 1/20 0.44
PRKCI P41743 1/20 0.42
PLK4 O00444 1/20 0.42

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
SCHEMBL3313505 1.00 PRKCZ (0.54) PRKCZROCK1IKBKBAXLJAK2
SCHEMBL3313511 1.00 PRKCZ (0.54) PRKCZROCK1IKBKBAXLJAK2
Hydrochloric Acid SCHEMBL3311221 0.99 PRKCZ (0.53) PRKCZROCK1IKBKBAXLJAK2
Hydrochloric Acid SCHEMBL3311231 0.99 PRKCZ (0.53) PRKCZROCK1IKBKBAXLJAK2
SCHEMBL3313259 0.92 PRKCZ (0.57) PRKCZROCK1ITKPRKD2PRMT3
SCHEMBL3313263 0.92 PRKCZ (0.57) PRKCZROCK1ITKPRKD2PRMT3
SCHEMBL3318660 0.92 IKBKB (0.51) PRKCZROCK1IKBKBJAK2ROCK2
Hydrochloric Acid SCHEMBL3317013 0.91 PRKCZ (0.56) PRKCZROCK1ITKPRKD2PRMT3
Hydrochloric Acid SCHEMBL3317008 0.91 PRKCZ (0.56) PRKCZROCK1ITKPRKD2PRMT3
Hydrochloric Acid SCHEMBL29862903 0.90 IKBKB (0.50) PRKCZROCK1IKBKBJAK2ROCK2

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
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
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 PRKCZ 94/4885ROCK1 5/4885IKBKB 837/4885

“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.