SCHEMBL3722091

SCHEMBL3722091

COc1cccc(-c2cnc3[nH]ccc3c2N2CCN(C(=O)[C@H](CN(C(=O)OC(C)(C)C)C(C)C)c3ccc(Cl)cc3)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 10/20 0.41
KIT P10721 3/20 0.40
MAPK1 P28482 2/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
AKT3 Q9Y243 4/20 0.36
AKT2 P31751 2/20 0.36
WNK1 Q9H4A3 1/20 0.35
JAK1 P23458 2/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL3722089 1.00 AKT1 (0.41) AKT1KITMAPK1MEN1MAPT
SCHEMBL3725411 0.92 AKT1 (0.42) AKT1KITMAPK1AKT3AKT2
SCHEMBL3725412 0.92 AKT1 (0.42) AKT1KITMAPK1AKT3AKT2
SCHEMBL3723051 0.91 AKT1 (0.43) AKT1KITMAPK1MEN1MAPT
SCHEMBL3730489 0.91 AKT1 (0.45) AKT1AKT3AKT2JAK1CYP1A2
SCHEMBL3730492 0.91 AKT1 (0.45) AKT1AKT3AKT2JAK1CYP1A2
SCHEMBL3724342 0.90 MAP4K1 (0.43) AKT1KITAKT3AKT2JAK1
SCHEMBL3724343 0.90 MAP4K1 (0.43) AKT1KITAKT3AKT2JAK1
SCHEMBL3729329 0.90 AKT1 (0.43) AKT1KITAKT3AKT2JAK1
SCHEMBL3729330 0.90 AKT1 (0.43) AKT1KITAKT3AKT2JAK1

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 AKT1 537/4885KIT 1127/4885MAPK1 229/4885

“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.