SCHEMBL8935674

SCHEMBL8935674

O=c1[nH]ccc2cc(OCC3CCN(CC4CC4)CC3)ccc12

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.61
SIGMAR1 Q99720 2/20 0.51
ROCK1 Q13464 2/20 0.51

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
SCHEMBL8935750 0.95 MAP2K1 (0.64) MAP2K1SIGMAR1ROCK1
SCHEMBL8935619 0.89 MAP2K1 (0.61) MAP2K1ROCK1
SCHEMBL8935634 0.87 MAP2K1 (0.59) MAP2K1ROCK1
SCHEMBL8935666 0.86 MAP2K1 (0.58) MAP2K1ROCK1
SCHEMBL4148958 0.85 ROCK1 (0.65) MAP2K1ROCK1
SCHEMBL8935814 0.85 MAOA (0.59) MAP2K1
SCHEMBL8935644 0.85 MAP2K1 (0.57) MAP2K1ROCK1
SCHEMBL12851130 0.84 MAP2K1 (0.78) MAP2K1ROCK1
SCHEMBL8935744 0.84 MAP2K1 (0.59) MAP2K1ROCK1
SCHEMBL8935808 0.84 MAOB (0.59) MAP2K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2385047-B1 Piperidinyl-substituted isoquinolone derivatives SANOFI SA (FR) 2013-05-29 EP disclosed
US-8188117-B2 Piperidinyl-substituted isoquinolone derivatives SANOFI-AVENTIS (FR) 2012-05-29 US disclosed
US-8188117-B2 Piperidinyl-substituted isoquinolone derivatives SANOFI-AVENTIS (FR) 2012-05-29 US disclosed
EP-2385047-A1 Piperidinyl-substituted isoquinolone derivatives SANOFI (FR) 2011-11-09 EP disclosed
US-20090093518-A1 Piperidinyl-substituted isoquinolone derivatives SANOFI-AVENTIS (FR) 2009-04-09 US disclosed
US-20090093518-A1 Piperidinyl-substituted isoquinolone derivatives SANOFI-AVENTIS (FR) 2009-04-09 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 (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-20090093518-A1 Piperidinyl-substituted isoquinolone derivatives MYLK2, MYLK, RHOT2 MAP2K1 1916/4885SIGMAR1 3858/4885ROCK1 8/4885

“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.