SCHEMBL3666892

SCHEMBL3666892

O=C(O)NC(C(=O)N1CCN(c2c(Br)cnc3[nH]ccc23)CC1)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 6/20 0.39
AURKA O14965 1/20 0.39
JAK1 P23458 11/20 0.39
JAK3 P52333 10/20 0.38
JAK2 O60674 10/20 0.38
KIT P10721 1/20 0.36
CCR1 P32246 1/20 0.36
AKT1 P31749 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 0.87 JAK1 (0.42) TYK2AURKAJAK1JAK3JAK2
SCHEMBL3718044 0.87 JAK1 (0.42) TYK2AURKAJAK1JAK3JAK2
SCHEMBL3724681 0.87 DPP4 (0.41) TYK2AURKAJAK1JAK3JAK2
SCHEMBL3724674 0.87 DPP4 (0.41) TYK2AURKAJAK1JAK3JAK2
SCHEMBL3723654 0.79 KIT (0.46) TYK2AURKAJAK1JAK3JAK2
SCHEMBL3719976 0.76 AKT1 (0.53) KITAKT1
SCHEMBL13770677 0.75 DPP4 (0.41) TYK2AURKAJAK1JAK3JAK2
SCHEMBL27821427 0.73 AKT1 (0.52) KITAKT1
SCHEMBL13011188 0.73 AKT1 (0.54) KITAKT1
SCHEMBL3726609 0.71 AKT1 (0.70) AKT1

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 6 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
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 (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 TYK2 811/4885AURKA 257/4885JAK1 900/4885
US-20100324041-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, BUB1B TYK2 780/4885AURKA 244/4885JAK1 865/4885

“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.