SCHEMBL3311569

SCHEMBL3311569

Clc1cc2cnccc2cc1SC1CCN(C2CCCCC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.39
HRH3 Q9Y5N1 6/20 0.37
VCP P55072 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 0.33
PRKD1 Q15139 1/20 0.33
AKT1 P31749 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
SCHEMBL3315284 0.93 KDM2B (0.42) KDM2BHRH3VCPKDM4EMEN1
SCHEMBL3311673 0.88 KDM2B (0.46) KDM2BHRH3VCPKDM4EMEN1
SCHEMBL3316256 0.86 KDM2B (0.39) KDM2BHRH3KDM4EMEN1ALDH1A1
SCHEMBL3316857 0.84 ACHE (0.38) VCPPRKD1
SCHEMBL3312561 0.80 ROCK2 (0.34) PRKD1AKT1
SCHEMBL3315006 0.80 HRH3 (0.39) HRH3VCPAKT1
SCHEMBL3311776 0.80 AKT1 (0.36) HRH3VCPKDM4EMEN1ALDH1A1
SCHEMBL3313997 0.79 SIGMAR1 (0.36) PRKD1
SCHEMBL13398900 0.79 ROCK2 (0.40) AKT1
SCHEMBL3315112 0.78 ROCK2 (0.43) AKT1

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 3055/4885HRH3 1743/4885VCP 2003/4885

“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.