SCHEMBL3721189

SCHEMBL3721189

O=C(CO)Nc1c[nH]c2nccc(N3CCNCC3)c12

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 19/20 0.55
CDC42BPB Q9Y5S2 19/20 0.55
ROCK2 O75116 17/20 0.55
PIM1 P11309 1/20 0.43
PIM3 Q86V86 1/20 0.43
CDC42BPA Q5VT25 4/20 0.43

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
SCHEMBL3723759 0.87 ROCK1 (0.52) ROCK1CDC42BPBROCK2PIM1PIM3
SCHEMBL3723244 0.87 ROCK1 (0.56) ROCK1CDC42BPBROCK2PIM1PIM3
SCHEMBL3727115 0.80 ROCK1 (0.50) ROCK1CDC42BPBROCK2PIM1PIM3
SCHEMBL20744096 0.71 CDC42BPB (1.00) ROCK1CDC42BPBROCK2CDC42BPA
SCHEMBL30668774 0.71 CDC42BPB (1.00) ROCK1CDC42BPBROCK2CDC42BPA
SCHEMBL3812030 0.71 AKT1 (0.41)
SCHEMBL3725000 0.71 BCHE (0.48)
SCHEMBL3717638 0.70 ALK (0.47) ROCK1CDC42BPBROCK2
SCHEMBL3721139 0.70 ALDH1A1 (0.43)
SCHEMBL3723649 0.67 PIM1 (0.52) ROCK1CDC42BPBROCK2PIM1PIM3

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-8841304-B2 Pyrrolopyridines as kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-09-23 US disclosed
US-20140221370-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2014-08-07 US disclosed
CN-101959887-B Pyrrolopyridines as kinase inhibitors ARRAY BIOPHARMA INC 2013-07-31 CN disclosed
EP-2242755-B1 PYRROLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2012-09-12 EP disclosed
CN-101959887-A Pyrrolopyridine as kinase inhibitor ARRAY BIOPHARMA INC 2011-01-26 CN disclosed
US-20100324041-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-12-23 US disclosed
EP-2242755-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS Array Biopharma, Inc. (US) 2010-10-27 EP disclosed
WO-2009089352-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-07-16 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 (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-20140221370-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, BUB1B ROCK1 1141/4885CDC42BPB 233/4885ROCK2 1355/4885
US-20100324041-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, BUB1B ROCK1 1216/4885CDC42BPB 246/4885ROCK2 1444/4885

“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.