SCHEMBL3313259

SCHEMBL3313259

c1cc2cc(N[C@@H]3CCCNC3)ccc2cn1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 15/20 0.57
ROCK1 Q13464 1/20 0.56
PRKD2 Q9BZL6 10/20 0.54
ITK Q08881 1/20 0.47
CSNK2A1 P68400 1/20 0.47
HIPK2 Q9H2X6 1/20 0.47
PRMT3 O60678 2/20 0.46

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
SCHEMBL3313263 1.00 PRKCZ (0.57) PRKCZROCK1PRKD2ITKCSNK2A1
Hydrochloric Acid SCHEMBL3317008 0.99 PRKCZ (0.56) PRKCZROCK1PRKD2ITKCSNK2A1
Hydrochloric Acid SCHEMBL3317013 0.99 PRKCZ (0.56) PRKCZROCK1PRKD2ITKCSNK2A1
SCHEMBL3313511 0.92 PRKCZ (0.54) PRKCZROCK1PRKD2ITKPRMT3
SCHEMBL3313505 0.92 PRKCZ (0.54) PRKCZROCK1PRKD2ITKPRMT3
SCHEMBL3319677 0.92 PRKCZ (0.54) PRKCZROCK1PRKD2ITKPRMT3
Hydrochloric Acid SCHEMBL3311221 0.91 PRKCZ (0.53) PRKCZROCK1PRKD2ITKPRMT3
Hydrochloric Acid SCHEMBL3311231 0.91 PRKCZ (0.53) PRKCZROCK1PRKD2ITKPRMT3
SCHEMBL3311679 0.86 PRMT3 (0.47) PRKCZROCK1PRMT3
Hydrochloric Acid SCHEMBL3313379 0.85 PRMT3 (0.46) PRKCZROCK1PRMT3

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
US-8748614-B2 Substituted isoquinoline and isoquinolinone derivatives SANOFI (FR) 2014-06-10 US disclosed
US-8748614-B2 Substituted isoquinoline and isoquinolinone derivatives SANOFI (FR) 2014-06-10 US disclosed
US-8748614-B2 Substituted isoquinoline and isoquinolinone derivatives SANOFI (FR) 2014-06-10 US disclosed
US-20100105650-A1 Substituted isoquinoline and isoquinolinone derivatives SANOFI-AVENTIS (FR) 2010-04-29 US disclosed
US-20100105650-A1 Substituted isoquinoline and isoquinolinone derivatives SANOFI-AVENTIS (FR) 2010-04-29 US disclosed
US-20100105650-A1 Substituted isoquinoline and isoquinolinone derivatives SANOFI-AVENTIS (FR) 2010-04-29 US disclosed
EP-2114920-A1 SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES Sanofi-Aventis (FR) 2009-11-11 EP disclosed
WO-2008077552-A1 SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-07-03 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 (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-20100105650-A1 Substituted isoquinoline and isoquinolinone derivatives MYLK2, MYLK, MYLK3 PRKCZ 94/4885ROCK1 5/4885PRKD2 293/4885

“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.