SCHEMBL3779211

SCHEMBL3779211

CC(C)(C)NC(=O)OC(C)(C)CC(C(=O)N1CCN(c2c(-c3cccc(F)c3)cnc3[nH]ccc23)CC1)c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 12/20 0.43
TACR3 P29371 2/20 0.36
AKT3 Q9Y243 3/20 0.35
AKT2 P31751 2/20 0.35
KIT P10721 2/20 0.35
MAPK1 P28482 1/20 0.35
JAK1 P23458 1/20 0.33
RPS6KA3 P51812 1/20 0.33

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
SCHEMBL3779207 1.00 AKT1 (0.43) AKT1TACR3AKT3AKT2KIT
SCHEMBL3723838 0.91 AKT1 (0.43) AKT1TACR3AKT3AKT2KIT
SCHEMBL3723841 0.91 AKT1 (0.43) AKT1TACR3AKT3AKT2KIT
SCHEMBL3729291 0.88 AKT1 (0.46) AKT1AKT3AKT2KITMAPK1
SCHEMBL3719675 0.88 AKT1 (0.49) AKT1AKT3AKT2KITRPS6KA3
SCHEMBL3719679 0.88 AKT1 (0.49) AKT1AKT3AKT2KITRPS6KA3
SCHEMBL3726802 0.83 AKT1 (0.48) AKT1AKT3AKT2
SCHEMBL3726798 0.83 AKT1 (0.48) AKT1AKT3AKT2
SCHEMBL3725411 0.83 AKT1 (0.42) AKT1AKT3AKT2KITMAPK1
SCHEMBL3725412 0.83 AKT1 (0.42) AKT1AKT3AKT2KITMAPK1

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 2 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-20100324041-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-12-23 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-20100324041-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, BUB1B AKT1 531/4885TACR3 3834/4885AKT3 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.