SCHEMBL3318669

SCHEMBL3318669

Brc1cc2cnccc2cc1SC1CCN(CC2CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.40
CHUK O15111 1/20 0.39
CCNT1 O60563 1/20 0.33
PIM1 P11309 1/20 0.33
CDK9 P50750 1/20 0.33
HASPIN Q8TF76 1/20 0.33
PRKD1 Q15139 1/20 0.33
ROCK2 O75116 2/20 0.32

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
SCHEMBL3317692 0.94 IKBKB (0.39) IKBKBCHUKPRKD1
SCHEMBL3315556 0.88 IKBKB (0.45) IKBKBCHUKCCNT1PIM1CDK9
SCHEMBL3313662 0.86 IKBKB (0.43) IKBKBCHUKROCK2
SCHEMBL3312561 0.86 ROCK2 (0.34) PRKD1ROCK2
SCHEMBL3318593 0.85 ROCK2 (0.44) IKBKBCHUKPRKD1ROCK2
SCHEMBL3315490 0.84 IKBKB (0.42) IKBKBCHUKROCK2
SCHEMBL3311613 0.84 ROCK2 (0.46) ROCK2
SCHEMBL3311507 0.83 ROCK2 (0.42) IKBKBROCK2
SCHEMBL3313105 0.83 ROCK2 (0.40) IKBKBCHUKROCK2
SCHEMBL3315823 0.83 IKBKB (0.38) IKBKBCHUKPIM1HASPINROCK2

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 IKBKB 837/4885CHUK 756/4885CCNT1 1444/4885

“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.