SCHEMBL12192872

SCHEMBL12192872

Fc1cc(OCC2CCNCC2)cc2ccncc12

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 3/20 0.52
▸ CHUK O15111 2/20 0.52
▸ SLC6A2 P23975 4/20 0.50
▸ SLC6A4 P31645 4/20 0.50
▸ HTR3A P46098 2/20 0.50
▸ KCNH2 Q12809 2/20 0.50
▸ SLC6A3 Q01959 3/20 0.47
▸ PRKCZ Q05513 1/20 0.45
▸ PIM1 P11309 1/20 0.45
▸ KDM1A O60341 5/20 0.44
▸ MELK Q14680 1/20 0.44
▸ EP300 Q09472 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ PDE2A O00408 1/20 0.42
▸ PDE10A Q9Y233 1/20 0.42

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
SCHEMBL12192873 0.86 IKBKB (0.55) IKBKBCHUKSLC6A2SLC6A4KCNH2
SCHEMBL12192869 0.81 IKBKB (0.64) IKBKBCHUKPRKCZPIM1
SCHEMBL12192920 0.81 SLC6A2 (0.68) IKBKBCHUKSLC6A2SLC6A4HTR3A
SCHEMBL18640010 0.75 SLC6A2 (0.43) SLC6A2SLC6A4HTR3AKCNH2SLC6A3
SCHEMBL27786684 0.75 MELK (0.55) IKBKBCHUKPIM1MELKEP300
SCHEMBL15204083 0.74 TDP1 (0.63) IKBKBCHUKSLC6A2SLC6A4HTR3A
SCHEMBL2230001 0.72 SLC6A2 (0.71) IKBKBCHUKSLC6A2SLC6A4HTR3A
Hydrochloric Acid SCHEMBL2566398 0.72 TDP1 (0.66) IKBKBCHUKSLC6A2SLC6A4HTR3A
SCHEMBL12192871 0.72 ROCK1 (0.68) IKBKBCHUKKCNH2PRKCZPIM1
SCHEMBL2240323 0.72 CHRNB2 (0.66) IKBKBCHUKSLC6A2SLC6A4HTR3A

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 866/4885CHUK 955/4885SLC6A2 3047/4885
US-20090088429-A1 Isoquinoline Derivatives MYLK2, MYLK, RHOT2 IKBKB 866/4885CHUK 955/4885SLC6A2 3047/4885

“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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