SCHEMBL3724449

SCHEMBL3724449

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

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 17/20 0.50
AKT2 P31751 7/20 0.49
AKT3 Q9Y243 7/20 0.49
RPS6KA3 P51812 1/20 0.40
JAK1 P23458 1/20 0.38
ROCK2 O75116 2/20 0.38
KCNH2 Q12809 1/20 0.38
KIT P10721 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
SCHEMBL3724447 1.00 AKT1 (0.50) AKT1AKT2AKT3RPS6KA3JAK1
SCHEMBL3725439 0.92 AKT1 (0.49) AKT1AKT2AKT3RPS6KA3JAK1
SCHEMBL12101572 0.92 AKT1 (0.42) AKT1AKT2AKT3RPS6KA3JAK1
SCHEMBL3730112 0.88 AKT1 (0.51) AKT1AKT2AKT3
SCHEMBL3730110 0.88 AKT1 (0.51) AKT1AKT2AKT3
SCHEMBL3730492 0.87 AKT1 (0.45) AKT1AKT2AKT3RPS6KA3JAK1
SCHEMBL3730489 0.87 AKT1 (0.45) AKT1AKT2AKT3RPS6KA3JAK1
SCHEMBL3727378 0.86 AKT1 (0.46) AKT1AKT2AKT3KIT
SCHEMBL3729142 0.86 AKT1 (0.47) AKT1AKT2AKT3RPS6KA3KIT
SCHEMBL3724349 0.85 AKT1 (0.45) AKT1AKT2AKT3RPS6KA3KIT

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 537/4885AKT2 573/4885AKT3 484/4885
US-20100324041-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, BUB1B AKT1 531/4885AKT2 583/4885AKT3 492/4885

“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.