SCHEMBL3721746

SCHEMBL3721746

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 3/20 0.43
AKT1 P31749 3/20 0.43
AKT1S1 Q96B36 2/20 0.43
LIMK2 P53671 9/20 0.42
ROCK2 O75116 3/20 0.41
ROCK1 Q13464 3/20 0.41
CDC42BPB Q9Y5S2 2/20 0.41
LRRK2 Q5S007 2/20 0.40
CDC7 O00311 2/20 0.40
MARK3 P27448 2/20 0.40
STK3 Q13188 2/20 0.40
CDC42BPA Q5VT25 2/20 0.40
LIMK1 P53667 2/20 0.40
JAK3 P52333 2/20 0.40
PLK4 O00444 1/20 0.40
CHEK1 O14757 1/20 0.40
AURKA O14965 1/20 0.40
PDPK1 O15530 1/20 0.40
JAK2 O60674 1/20 0.40
PAK4 O96013 1/20 0.40

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
SCHEMBL3723339 0.87 CKS1B (0.51) KITMAPK1
SCHEMBL3723414 0.84 ROCK1 (0.44) KITROCK2ROCK1CDC42BPBLRRK2
SCHEMBL3725663 0.80 AKT1 (0.68) AKT1AKT1S1
SCHEMBL3721751 0.80 AKT1 (0.54) KITAKT1AKT1S1
SCHEMBL3725666 0.80 AKT1 (0.68) AKT1AKT1S1
SCHEMBL3723912 0.79 AKT3 (0.49) AKT1
SCHEMBL3730772 0.79 AKT1 (0.69) KITAKT1AKT1S1
SCHEMBL3723911 0.79 AKT3 (0.49) AKT1
SCHEMBL3725273 0.78 AKT1 (0.43) KITAKT1AKT1S1LIMK2
SCHEMBL3726648 0.78 AKT1 (0.46) KITAKT1AKT1S1LIMK2

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 KIT 1127/4885AKT1 537/4885AKT1S1 581/4885
US-20100324041-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, BUB1B KIT 1158/4885AKT1 531/4885AKT1S1 562/4885

“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.