SCHEMBL2290710

SCHEMBL2290710

COc1cc(C2(C#N)CCC(=O)CC2)ccc1C

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 17/20 0.65
PDE4A P27815 16/20 0.65
PDE4C Q08493 16/20 0.65
PDE4D Q08499 16/20 0.65
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL7381516 0.89 PDE4B (0.75) PDE4BPDE4APDE4CPDE4DKMT2A
SCHEMBL26463843 0.88 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DKMT2A
SCHEMBL2290555 0.85 PDE4B (0.63) PDE4BPDE4APDE4CPDE4DKMT2A
SCHEMBL11823620 0.84 PDE4A (0.51) PDE4BPDE4APDE4CPDE4D
SCHEMBL7425652 0.82 PDE4A (0.69) PDE4BPDE4APDE4CPDE4D
SCHEMBL521949 0.81 PDE4B (0.58) PDE4BPDE4APDE4CPDE4DKMT2A
SCHEMBL16897516 0.80 PDE4A (0.48) PDE4BPDE4APDE4CPDE4DNPC1
SCHEMBL5495203 0.79 PDE4A (1.00) PDE4BPDE4APDE4CPDE4D
SCHEMBL8001877 0.78 PDE4A (0.43) PDE4BPDE4APDE4CPDE4DKMT2A
SCHEMBL7387551 0.78 PDE4B (0.67) PDE4BPDE4APDE4CPDE4D

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
EP-2303846-B1 SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES AS RHO KINASE INHIBITORS SANOFI SA (FR) 2015-04-29 EP disclosed
EP-2303846-B1 SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES AS RHO KINASE INHIBITORS SANOFI SA (FR) 2015-04-29 EP disclosed
US-8541449-B2 Substituted isoquinolines and isoquinolinones as Rho kinase inhibitors SANOFI (FR) 2013-09-24 US disclosed
US-8541449-B2 Substituted isoquinolines and isoquinolinones as Rho kinase inhibitors SANOFI (FR) 2013-09-24 US disclosed
US-8541449-B2 Substituted isoquinolines and isoquinolinones as Rho kinase inhibitors SANOFI (FR) 2013-09-24 US disclosed
US-20110190341-A1 SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES AS RHO KINASE INHIBITORS SANOFI-AVENTIS (FR) 2011-08-04 US disclosed
US-20110190341-A1 SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES AS RHO KINASE INHIBITORS SANOFI-AVENTIS (FR) 2011-08-04 US disclosed
US-20110190341-A1 SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES AS RHO KINASE INHIBITORS SANOFI-AVENTIS (FR) 2011-08-04 US 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-20110190341-A1 SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES AS RHO KINASE INHIBITORS ROCK1, MYLK, ROCK2 PDE4B 489/4885PDE4A 346/4885PDE4C 363/4885

“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.