SCHEMBL3313752

SCHEMBL3313752

CCCCN1CCCC(Sc2cc3ccncc3cc2Cl)C1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.37
ROCK1 Q13464 3/20 0.37
KDM2B Q8NHM5 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
ADRA1B P35368 1/20 0.34
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
NR4A2 P43354 1/20 0.33
PDE2A O00408 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
SCHEMBL3315597 0.94 KDM2B (0.39) ROCK2ROCK1KDM2B
SCHEMBL3315230 0.94 NR4A2 (0.36) ROCK2ROCK1NR4A2
SCHEMBL3318559 0.90 ROCK2 (0.39) ROCK2ROCK1KCNH2PDE2A
SCHEMBL3317517 0.88 ROCK2 (0.46) ROCK2ROCK1PDE2A
SCHEMBL3316877 0.88 ROCK2 (0.38) ROCK2ROCK1NR4A2
SCHEMBL3309372 0.88 ROCK1 (0.40) ROCK2ROCK1KDM2B
SCHEMBL3314188 0.85 ADORA2A (0.38) ROCK2ROCK1PDE2A
SCHEMBL3313667 0.85 AKT1 (0.40) ROCK2ROCK1PDE2A
SCHEMBL3318778 0.85 ROCK2 (0.48) ROCK2ROCK1PDE2A
SCHEMBL3313193 0.85 ROCK2 (0.39) ROCK2ROCK1KDM2BKCNH2

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 ROCK2 6/4885ROCK1 5/4885KDM2B 3055/4885

“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.