SCHEMBL3725439

SCHEMBL3725439

CC(C)N(CC(C(=O)N1CCN(c2c(-c3ccccc3)cnc3[nH]ccc23)CC1)c1ccc(Cl)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 18/20 0.49
AKT3 Q9Y243 8/20 0.41
AKT2 P31751 7/20 0.41
RPS6KA3 P51812 1/20 0.39
JAK1 P23458 1/20 0.37
ROCK2 O75116 2/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL3727378 0.94 AKT1 (0.46) AKT1AKT3AKT2
SCHEMBL3729142 0.94 AKT1 (0.47) AKT1AKT3AKT2RPS6KA3
SCHEMBL3724349 0.93 AKT1 (0.45) AKT1AKT3AKT2RPS6KA3
SCHEMBL3732138 0.93 AKT1 (0.46) AKT1AKT3AKT2ROCK2KCNH2
SCHEMBL3732140 0.93 AKT1 (0.46) AKT1AKT3AKT2ROCK2KCNH2
SCHEMBL3724447 0.92 AKT1 (0.50) AKT1AKT3AKT2RPS6KA3JAK1
SCHEMBL3724449 0.92 AKT1 (0.50) AKT1AKT3AKT2RPS6KA3JAK1
SCHEMBL3775344 0.91 AKT1 (0.46) AKT1AKT3AKT2RPS6KA3
SCHEMBL3723051 0.91 AKT1 (0.43) AKT1AKT3AKT2JAK1
SCHEMBL3730492 0.91 AKT1 (0.45) AKT1AKT3AKT2RPS6KA3JAK1

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
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
EP-2242755-B1 PYRROLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2012-09-12 EP 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 AKT1 537/4885AKT3 484/4885AKT2 573/4885
US-20100324041-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, BUB1B AKT1 531/4885AKT3 492/4885AKT2 583/4885

“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.