SCHEMBL3723339

SCHEMBL3723339

Cc1c[nH]c2ncc(-c3ccccc3)c(N3CCN(C(=O)OC(C)(C)C)CC3)c12

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.51
SKP1 P63208 2/20 0.51
SKP2 Q13309 2/20 0.51
KIT P10721 3/20 0.48
BTK Q06187 2/20 0.47
BACE1 P56817 3/20 0.44
JAK1 P23458 1/20 0.44
PTPN11 Q06124 1/20 0.44
ALK Q9UM73 1/20 0.43
GBA1 P04062 1/20 0.43
MAPT P10636 2/20 0.43
ACHE P22303 1/20 0.43
MAPK1 P28482 1/20 0.42
HPGDS O60760 1/20 0.42
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL3721746 0.87 KIT (0.43) KITMAPK1
SCHEMBL3729051 0.82 JAK1 (0.56) CKS1BSKP1SKP2KITBACE1
SCHEMBL3717739 0.82 CKS1B (0.50) CKS1BSKP1SKP2KITBACE1
SCHEMBL3717407 0.81 CKS1B (0.53) CKS1BSKP1SKP2KITBACE1
SCHEMBL3723265 0.80 AKT1 (0.49) MAPK1MEN1KMT2A
SCHEMBL3727949 0.79 AKT1 (0.41) MAPK1
SCHEMBL3723373 0.78 AKT1 (0.39) CKS1BSKP1SKP2KITALK
SCHEMBL3723369 0.78 AKT1 (0.51) KIT
SCHEMBL3723414 0.78 ROCK1 (0.44) KITMAPK1MEN1TSHRKMT2A
SCHEMBL3718272 0.77 AKT1 (0.50) KIT

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 CKS1B 24/4885SKP1 63/4885SKP2 18/4885
US-20100324041-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, BUB1B CKS1B 27/4885SKP1 61/4885SKP2 16/4885

“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.