SCHEMBL3311713

SCHEMBL3311713

c1cc2cc(NC3CN(CC4CCNC4)C3)ccc2cn1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 1/20 0.45
ROCK1 Q13464 7/20 0.41
ROCK2 O75116 6/20 0.40
JAK2 O60674 4/20 0.40
JAK3 P52333 3/20 0.40
PRMT3 O60678 8/20 0.39
CCR2 P41597 2/20 0.38
KCNH2 Q12809 1/20 0.38
IKBKB O14920 1/20 0.38
NAMPT P43490 2/20 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
SCHEMBL3313744 0.91 ROCK2 (0.49) ROCK1ROCK2CCR2
SCHEMBL3313750 0.91 ROCK2 (0.49) ROCK1ROCK2CCR2
SCHEMBL3313742 0.91 ROCK2 (0.49) ROCK1ROCK2CCR2
SCHEMBL3311578 0.87 PRMT3 (0.45) ROCK1ROCK2PRMT3CCR2
SCHEMBL3312161 0.84 PRMT3 (0.51) ROCK1ROCK2PRMT3CCR2NAMPT
SCHEMBL3313511 0.81 PRKCZ (0.54) PRKCZROCK1ROCK2JAK2JAK3
SCHEMBL3313505 0.81 PRKCZ (0.54) PRKCZROCK1ROCK2JAK2JAK3
SCHEMBL3319677 0.81 PRKCZ (0.54) PRKCZROCK1ROCK2JAK2JAK3
SCHEMBL13398250 0.80 ROCK1 (0.42) ROCK1ROCK2PRMT3CCR2
Hydrochloric Acid SCHEMBL3311221 0.80 PRKCZ (0.53) PRKCZROCK1ROCK2JAK2JAK3

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 PRKCZ 94/4885ROCK1 5/4885ROCK2 6/4885

“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.