SCHEMBL3721139

SCHEMBL3721139

O=C(COCc1ccccc1)Nc1c[nH]c2nccc(N3CCN(Cc4ccccc4)CC3)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
BCHE P06276 4/20 0.43
ALK Q9UM73 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GRM5 P41594 2/20 0.42
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
APP P05067 2/20 0.41
ACHE P22303 2/20 0.41
HRH1 P35367 1/20 0.41
LMNA P02545 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CCR5 P51681 1/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 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
SCHEMBL3717638 0.86 ALK (0.47) ALDH1A1BCHEALKHRH1CA12
SCHEMBL3725000 0.86 BCHE (0.48) ALDH1A1BCHEALKAPPACHE
SCHEMBL3722051 0.81 MAPT (0.60) ALDH1A1BCHEMEN1KMT2ALMNA
SCHEMBL3723401 0.76 ALK (0.50) ALDH1A1ALKCA12CA1CA2
SCHEMBL3722723 0.74 ALDH1A1 (0.47) ALDH1A1ALKMEN1KMT2ALMNA
SCHEMBL4476828 0.73 CA12 (0.52) ALDH1A1ALKMEN1KMT2ACA12
SCHEMBL3721189 0.70 ROCK1 (0.55)
SCHEMBL2800151 0.68 DRD2 (0.63) ALKCA12CA1CA2CA9
SCHEMBL3723759 0.68 ROCK1 (0.52) ALDH1A1
SCHEMBL3723244 0.67 ROCK1 (0.56)

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 ALDH1A1 2477/4885BCHE 3871/4885ALK 3386/4885
US-20100324041-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, BUB1B ALDH1A1 2396/4885BCHE 3853/4885ALK 3242/4885

“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.