SCHEMBL3316256

SCHEMBL3316256

Brc1cc2cnccc2cc1SC1CCN(C2CCCCC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.39
IKBKB O14920 3/20 0.38
CHUK O15111 1/20 0.38
HRH3 Q9Y5N1 7/20 0.37
KDM4E B2RXH2 2/20 0.34
PRKD1 Q15139 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
CCNT1 O60563 1/20 0.33
PIM1 P11309 1/20 0.33
CDK9 P50750 1/20 0.33
HASPIN Q8TF76 1/20 0.33
SLC18A3 Q16572 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33

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
SCHEMBL3311569 0.86 KDM2B (0.39) KDM2BHRH3KDM4EPRKD1MEN1
SCHEMBL3317692 0.84 IKBKB (0.39) IKBKBCHUKPRKD1
SCHEMBL3319711 0.80 IKBKB (0.41) IKBKBCHUKHRH3CCNT1PIM1
SCHEMBL3315556 0.80 IKBKB (0.45) IKBKBCHUKHRH3MEN1ALDH1A1
SCHEMBL3318669 0.80 IKBKB (0.40) IKBKBCHUKPRKD1CCNT1PIM1
SCHEMBL3315284 0.80 KDM2B (0.42) KDM2BHRH3KDM4EPRKD1MEN1
SCHEMBL3313662 0.78 IKBKB (0.43) IKBKBCHUK
SCHEMBL1571582 0.78 IKBKB (0.42) IKBKBCHUKCCNT1PIM1CDK9
SCHEMBL1571577 0.78 IKBKB (0.42) IKBKBCHUKCCNT1PIM1CDK9
SCHEMBL3315568 0.78 IKBKB (0.57) IKBKBCHUKMEN1KMT2ACCNT1

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 KDM2B 3055/4885IKBKB 837/4885CHUK 756/4885

“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.