SCHEMBL12193265

SCHEMBL12193265

FC(F)(F)c1ccc(CN2CCC(Oc3cc(Cl)c4cnccc4c3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 1/20 0.48
▸ ROCK1 Q13464 4/20 0.47
▸ CYP3A4 P08684 3/20 0.47
▸ AKT1 P31749 1/20 0.47
▸ ROCK2 O75116 3/20 0.45
▸ CCR2 P41597 1/20 0.42
▸ PRKAA2 P54646 1/20 0.42
▸ HRH1 P35367 1/20 0.41
▸ CCR3 P51677 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ CTSS P25774 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ EPAS1 Q99814 1/20 0.41
▸ SLC6A5 Q9Y345 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 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
SCHEMBL12193242 0.89 ROCK1 (0.51) ROCK1ROCK2CCR2HRH1CCR3
SCHEMBL12193264 0.87 ROCK1 (0.49) ROCK1ROCK2CCR2HRH1CCR3
SCHEMBL12193253 0.87 ROCK1 (0.61) ROCK1ROCK2CCR2HRH1CCR3
SCHEMBL12193267 0.86 ROCK1 (0.50) ROCK1ROCK2CCR2HRH1CCR3
SCHEMBL12193268 0.85 ROCK1 (0.54) ROCK1ROCK2CCR2HRH1CCR3
SCHEMBL12193244 0.83 ROCK1 (0.52) ROCK1ROCK2CCR2HRH1CCR3
SCHEMBL12193235 0.83 ROCK1 (0.40) ROCK1ROCK2CCR2HRH1CCR3
SCHEMBL12193229 0.81 HRH1 (0.44) ROCK1ROCK2HRH1CCR3KCNH2
SCHEMBL12193215 0.81 HRH3 (0.44) ROCK1ROCK2CCR2KCNH2KDM4E
SCHEMBL12193245 0.81 ROCK1 (0.49) ROCK1ROCK2CCR2HRH1CCR3

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722671-B2 Isoquinoline derivatives SANOFI (FR) 2014-05-13 — — US disclosed
US-8722671-B2 Isoquinoline derivatives SANOFI (FR) 2014-05-13 — — US disclosed
US-8501736-B2 Isoquinoline derivatives SANOFI (FR) 2013-08-06 — — US disclosed
US-8501736-B2 Isoquinoline derivatives SANOFI (FR) 2013-08-06 — — US disclosed
US-20110245248-A1 ISOQUINOLINE DERIVATIVES SANOFI-AVENTIS (FR) 2011-10-06 — — US disclosed
US-20110245248-A1 ISOQUINOLINE DERIVATIVES SANOFI-AVENTIS (FR) 2011-10-06 — — US disclosed
US-20090088429-A1 Isoquinoline Derivatives SANOFI-AVENTIS (FR) 2009-04-02 — — US disclosed
US-20090088429-A1 Isoquinoline Derivatives SANOFI-AVENTIS (FR) 2009-04-02 — — US disclosed
WO-2007000240-A1 ISOQUINOLINE DERIVATIVES AS INHIBITORS OF RHO-KINASE SANOFI-AVENTIS (DE) 2007-01-04 — — 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 (2 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-20110245248-A1 ISOQUINOLINE DERIVATIVES MYLK2, MYLK, RHOT2 ADRB2 2096/4885ROCK1 7/4885CYP3A4 4269/4885
US-20090088429-A1 Isoquinoline Derivatives MYLK2, MYLK, RHOT2 ADRB2 2096/4885ROCK1 7/4885CYP3A4 4269/4885

“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.

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