SCHEMBL12192809

SCHEMBL12192809

c1ccc(Cc2cncc3ccc(OC4CCNCC4)cc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 5/20 0.57
PRKCZ Q05513 13/20 0.56
IKBKB O14920 2/20 0.53
CHUK O15111 1/20 0.44
LCK P06239 1/20 0.44
ROCK1 Q13464 1/20 0.44

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
SCHEMBL2500632 0.83 PRKCZ (0.61) PRKCZIKBKBROCK1
SCHEMBL2505022 0.78 PRKCZ (0.54) PRKCZIKBKBCHUKROCK1
SCHEMBL12192931 0.77 PRKCZ (0.65) PRKCZIKBKBCHUKROCK1
SCHEMBL12192805 0.77 PRKCZ (0.65) PRKCZIKBKBROCK1
Hydrochloric Acid SCHEMBL2502330 0.76 PRKCZ (0.63) PRKCZIKBKBCHUKROCK1
SCHEMBL24437475 0.74 HRH1 (1.00) HRH1
SCHEMBL2505961 0.73 HRH1 (0.52) HRH1IKBKBCHUKLCKROCK1
SCHEMBL17981095 0.72 PRKCZ (0.62) PRKCZIKBKBCHUKLCKROCK1
SCHEMBL11063126 0.71 IKBKB (0.68) HRH1PRKCZIKBKBROCK1
SCHEMBL12192867 0.71 IKBKB (0.91) HRH1PRKCZIKBKBCHUKLCK

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 HRH1 2904/4885PRKCZ 74/4885IKBKB 866/4885
US-20090088429-A1 Isoquinoline Derivatives MYLK2, MYLK, RHOT2 HRH1 2904/4885PRKCZ 74/4885IKBKB 866/4885

“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.