SCHEMBL12192879

SCHEMBL12192879

Cc1cc(OC2CCNCC2)cc2ccncc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 6/20 0.64
▸ PRKCZ Q05513 2/20 0.55
▸ ROCK1 Q13464 9/20 0.53
▸ CHUK O15111 6/20 0.53
▸ LCK P06239 2/20 0.49
▸ ROCK2 O75116 2/20 0.45
▸ PRKACA P17612 2/20 0.45
▸ PRKG1 Q13976 2/20 0.45
▸ PKN2 Q16513 2/20 0.45
▸ PRKCD Q05655 1/20 0.45
▸ PKN1 Q16512 1/20 0.45
▸ AAK1 Q2M2I8 1/20 0.45
▸ CDC42BPA Q5VT25 1/20 0.45
▸ Q6ZSR9 Q6ZSR9 1/20 0.45
▸ BMP2K Q9NSY1 1/20 0.45
▸ CDC42BPB Q9Y5S2 1/20 0.45
▸ CHRNB2 P17787 1/20 0.44
▸ CHRNA4 P43681 1/20 0.44
▸ AKT1 P31749 2/20 0.43
▸ DYRK3 O43781 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
SCHEMBL12193213 0.84 IKBKB (0.64) IKBKBPRKCZROCK1CHUKLCK
SCHEMBL12192869 0.84 IKBKB (0.64) IKBKBPRKCZROCK1CHUKLCK
Hydrochloric Acid SCHEMBL2497446 0.83 IKBKB (0.62) IKBKBPRKCZROCK1CHUKLCK
SCHEMBL12192883 0.81 IKBKB (0.62) IKBKBPRKCZROCK1CHUKLCK
SCHEMBL12192867 0.79 IKBKB (0.91) IKBKBPRKCZROCK1CHUKLCK
Hydrochloric Acid SCHEMBL29863202 0.78 IKBKB (0.89) IKBKBPRKCZROCK1CHUKLCK
Hydrochloric Acid SCHEMBL2496034 0.78 IKBKB (0.89) IKBKBPRKCZROCK1CHUKLCK
SCHEMBL12193216 0.77 IKBKB (0.72) IKBKBPRKCZROCK1CHUKLCK
Hydrochloric Acid SCHEMBL23360340 0.77 IKBKB (0.97) IKBKBPRKCZROCK1CHUKLCK
Hydrochloric Acid SCHEMBL29863086 0.77 IKBKB (0.97) IKBKBPRKCZROCK1CHUKLCK

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
EP-1899322-B1 ISOQUINOLINE DERIVATIVES AS INHIBITORS OF RHO-KINASE SANOFI AVENTIS (FR) 2009-09-02 — — EP 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

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 IKBKB 866/4885PRKCZ 74/4885ROCK1 7/4885
US-20090088429-A1 Isoquinoline Derivatives MYLK2, MYLK, RHOT2 IKBKB 866/4885PRKCZ 74/4885ROCK1 7/4885

“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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