SCHEMBL3313477

SCHEMBL3313477

O=c1[nH]ccc2cc(NCC3CCCN3)ccc12

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.46
ROCK1 Q13464 11/20 0.46
ROCK2 O75116 9/20 0.46
PRKCD Q05655 2/20 0.46
PRKX P51817 1/20 0.46
PRKCE Q02156 1/20 0.46
PRKD1 Q15139 1/20 0.46
PRKACA P17612 1/20 0.43
PRKG1 Q13976 1/20 0.43
PKN1 Q16512 1/20 0.43
PKN2 Q16513 1/20 0.43
AAK1 Q2M2I8 1/20 0.43
CDC42BPA Q5VT25 1/20 0.43
Q6ZSR9 Q6ZSR9 1/20 0.43
BMP2K Q9NSY1 1/20 0.43
CDC42BPB Q9Y5S2 1/20 0.43

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
SCHEMBL26928482 0.83 ROCK1 (0.48) MAP2K1ROCK1ROCK2PRKCDPRKX
SCHEMBL3316750 0.82 MAP2K1 (0.62) MAP2K1ROCK1ROCK2PRKCDPRKX
SCHEMBL4291558 0.75 PKM (0.39)
SCHEMBL25834155 0.73 KIT (0.52) ROCK1ROCK2PRKCDPRKXPRKCE
SCHEMBL3313842 0.72 ROCK1 (0.57) MAP2K1ROCK1ROCK2PRKCDPRKX
SCHEMBL20401426 0.71 ROCK2 (0.47) MAP2K1ROCK1ROCK2PRKCDPRKX
SCHEMBL3317677 0.71 ROCK2 (0.56) MAP2K1ROCK1ROCK2PRKCDPRKX
SCHEMBL3311306 0.71 PRMT3 (0.44) ROCK1
SCHEMBL3532732 0.71 IDO1 (0.54) ROCK1ROCK2
SCHEMBL1572362 0.69 KIT (0.49) ROCK1ROCK2PRKCDPRKXPRKCE

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 MAP2K1 1431/4885ROCK1 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.