SCHEMBL1456959

SCHEMBL1456959

COc1cccc(C(NCCN)C(=O)Nc2ccc3[nH]ncc3c2)c1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 19/20 0.58
▸ NPC1 O15118 1/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ ROCK1 Q13464 6/20 0.58

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
SCHEMBL20661272 0.91 ROCK2 (0.70) ROCK2NPC1RAB9AROCK1
SCHEMBL20661257 0.89 ROCK2 (0.71) ROCK2NPC1RAB9AROCK1
SCHEMBL20661207 0.87 ROCK2 (0.67) ROCK2NPC1RAB9AROCK1
SCHEMBL20661204 0.87 ROCK2 (0.67) ROCK2NPC1RAB9AROCK1
SCHEMBL20661247 0.87 ROCK2 (0.67) ROCK2NPC1RAB9AROCK1
SCHEMBL5858615 0.86 ROCK2 (0.55) ROCK2NPC1RAB9AROCK1
SCHEMBL12824525 0.85 ROCK2 (0.69) ROCK2NPC1RAB9AROCK1
SCHEMBL29099826 0.82 NPC1 (0.66) ROCK2NPC1RAB9AROCK1
SCHEMBL20661202 0.79 ROCK2 (0.66) ROCK2NPC1RAB9AROCK1
SCHEMBL20661265 0.78 ROCK2 (0.67) ROCK2NPC1RAB9AROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2295413-A1 Indazole compounds useful as protein kinase inhibitors Vertex Pharmaceuticals Incorporated (US) 2011-03-16 — — EP disclosed
EP-2295412-A1 Indazole compounds useful as protein kinase inhibitors Vertex Pharmaceuticals Incorporated (US) 2011-03-16 — — EP disclosed
US-7041687-B2 Indazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-05-09 — — US disclosed
US-20040009968-A1 Indazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2004-01-15 — — 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-20040009968-A1 Indazole compounds useful as protein kinase inhibitors PRKD3, PDPK1, PDK1 ROCK2 6/4885NPC1 911/4885RAB9A 680/4885

“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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