SCHEMBL3718044

SCHEMBL3718044

CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCN(c2c(Br)cnc3[nH]ccc23)CC1)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 15/20 0.42
AAK1 Q2M2I8 2/20 0.39
JAK3 P52333 9/20 0.38
JAK2 O60674 8/20 0.38
TYK2 P29597 6/20 0.38
AURKA O14965 1/20 0.36

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
SCHEMBL3718042 1.00 JAK1 (0.42) JAK1AAK1JAK3JAK2TYK2
SCHEMBL3666892 0.87 TYK2 (0.39) JAK1JAK3JAK2TYK2AURKA
SCHEMBL3724674 0.81 DPP4 (0.41) JAK1JAK3JAK2TYK2AURKA
SCHEMBL3724681 0.81 DPP4 (0.41) JAK1JAK3JAK2TYK2AURKA
SCHEMBL3721734 0.80 JAK1 (0.52) JAK1JAK3JAK2TYK2
SCHEMBL3728445 0.79 AKT1 (0.49)
SCHEMBL3728447 0.79 AKT1 (0.49)
SCHEMBL3723654 0.72 KIT (0.46) JAK1JAK3JAK2TYK2AURKA
SCHEMBL22501529 0.72 EPHX1 (0.45) AAK1
SCHEMBL12463556 0.72 EPHX1 (0.45) AAK1

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 8 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
CN-101959887-B Pyrrolopyridines as kinase inhibitors ARRAY BIOPHARMA INC 2013-07-31 CN disclosed
EP-2242755-B1 PYRROLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2012-09-12 EP disclosed
CN-101959887-A Pyrrolopyridine as kinase inhibitor ARRAY BIOPHARMA INC 2011-01-26 CN 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 JAK1 900/4885AAK1 453/4885JAK3 1382/4885
US-20100324041-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, BUB1B JAK1 865/4885AAK1 413/4885JAK3 1316/4885

“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.