SCHEMBL3723912

SCHEMBL3723912

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

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKT3 Q9Y243 20/20 0.49
AKT1 P31749 19/20 0.49
AKT2 P31751 17/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
PIK3CA P42336 1/20 0.48
PRKG1 Q13976 1/20 0.48

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
SCHEMBL3723911 1.00 AKT3 (0.49) AKT3AKT1AKT2CYP1A2CYP3A4
SCHEMBL3727980 0.87 AKT1 (0.43) AKT3AKT1AKT2
SCHEMBL3726648 0.87 AKT1 (0.46) AKT3AKT1AKT2
SCHEMBL3726646 0.87 AKT1 (0.46) AKT3AKT1AKT2
SCHEMBL3726940 0.86 AKT1 (0.43) AKT3AKT1AKT2
SCHEMBL27800354 0.86 AKT1 (0.46) AKT3AKT1AKT2CYP3A4
SCHEMBL3726933 0.86 AKT1 (0.46) AKT3AKT1AKT2CYP3A4
SCHEMBL3730112 0.85 AKT1 (0.51) AKT3AKT1AKT2CYP1A2CYP3A4
SCHEMBL3730110 0.85 AKT1 (0.51) AKT3AKT1AKT2CYP1A2CYP3A4
SCHEMBL3730743 0.85 AKT3 (0.51) AKT3AKT1AKT2CYP1A2CYP3A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-20140221370-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, BUB1B AKT3 484/4885AKT1 537/4885AKT2 573/4885

“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.