SCHEMBL17324736

SCHEMBL17324736

CC(=O)c1n[nH]c2ccc(Cl)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 1/20 0.47
▸ PRKAG1 P54619 2/20 0.47
▸ PRKAA1 Q13131 2/20 0.47
▸ PRKAB1 Q9Y478 2/20 0.47
▸ PRKAB2 O43741 1/20 0.47
▸ PRKAA2 P54646 1/20 0.47
▸ PRKAG3 Q9UGI9 1/20 0.47
▸ PRKAG2 Q9UGJ0 1/20 0.47
▸ DYRK1A Q13627 3/20 0.45
▸ JAK2 O60674 4/20 0.45
▸ JAK1 P23458 3/20 0.45
▸ PAK1 Q13153 1/20 0.45
▸ MAP2 P11137 1/20 0.44
▸ RBP4 P02753 1/20 0.44
▸ RIPK1 Q13546 1/20 0.43
▸ FADS1 O60427 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ F7 P08709 1/20 0.42
▸ F3 P13726 1/20 0.42
▸ MAP2K4 P45985 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
SCHEMBL17423733 0.87 MAP2K4 (0.52) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL27814101 0.86 ROCK1 (0.49) ROCK1PRKAG1PRKAA1PRKAB1DYRK1A
SCHEMBL570293 0.85 PRKAG1 (0.55) ROCK1PRKAG1PRKAA1PRKAB1PRKAB2
SCHEMBL16246796 0.83 JAK2 (0.48) ROCK1DYRK1AJAK2JAK1PAK1
SCHEMBL4793264 0.83 KDM4E (0.63) ROCK1PRKAG1PRKAA1PRKAB1DYRK1A
SCHEMBL17321393 0.83 DYRK1A (0.48) ROCK1PRKAG1PRKAA1PRKAB1PRKAB2
SCHEMBL19997303 0.83 PAK1 (0.64) ROCK1PRKAG1PRKAA1PRKAB1DYRK1A
SCHEMBL18967793 0.81 MAP2K4 (0.54) PRKAG1PRKAA1PRKAB1GSK3BMAP2K4
SCHEMBL30319390 0.81 KMT2A (0.44) ROCK1GSK3B
SCHEMBL26071341 0.81 KMT2A (0.44) ROCK1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150353505-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-12-10 — — 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-20150353505-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 ROCK1 3/4885PRKAG1 570/4885PRKAA1 1032/4885

“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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