SCHEMBL3726933

SCHEMBL3726933

Cc1c[nH]c2ncc(-c3ccccc3)c(N3CCN(C(=O)C(CC(C)(C)NC(=O)O)c4ccc(Cl)cc4)CC3)c12

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 17/20 0.46
AKT1S1 Q96B36 2/20 0.39
AKT3 Q9Y243 6/20 0.39
AKT2 P31751 5/20 0.39
KIT P10721 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL3727946 0.93 AKT1 (0.41) AKT1AKT1S1AKT3AKT2CYP3A4
SCHEMBL3727949 0.93 AKT1 (0.41) AKT1AKT1S1AKT3AKT2CYP3A4
SCHEMBL3726648 0.92 AKT1 (0.46) AKT1AKT1S1AKT3AKT2KIT
SCHEMBL3726646 0.92 AKT1 (0.46) AKT1AKT1S1AKT3AKT2KIT
SCHEMBL15918096 0.88 AKT1 (0.43) AKT1AKT1S1AKT3AKT2KIT
SCHEMBL3723912 0.86 AKT3 (0.49) AKT1AKT3AKT2CYP3A4
SCHEMBL3723911 0.86 AKT3 (0.49) AKT1AKT3AKT2CYP3A4
SCHEMBL27800354 0.85 AKT1 (0.46) AKT1AKT1S1AKT3AKT2KIT
SCHEMBL3727980 0.84 AKT1 (0.43) AKT1AKT1S1AKT3AKT2
SCHEMBL3726940 0.83 AKT1 (0.43) AKT1AKT1S1AKT3AKT2

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 5 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
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 (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-20100324041-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, BUB1B AKT1 531/4885AKT1S1 562/4885AKT3 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.