SCHEMBL3721084

SCHEMBL3721084

COc1cccc(-c2cnc3[nH]ccc3c2N2CCN(C(=O)O)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NEK1 Q96PY6 1/20 0.46
KIT P10721 1/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PLCG1 P19174 1/20 0.44
RIPK1 Q13546 1/20 0.44
JAK1 P23458 6/20 0.44
JAK3 P52333 3/20 0.43
JAK2 O60674 2/20 0.43
TYK2 P29597 2/20 0.43
CCNC P24863 5/20 0.43
CDK8 P49336 5/20 0.43
CDK19 Q9BWU1 5/20 0.43
SMO Q99835 1/20 0.43
CCKAR P32238 1/20 0.42

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
SCHEMBL3725787 0.88 JAK1 (0.51) NEK1KITKDM4EMAPK1SMN1; SMN2
SCHEMBL3723380 0.86 RPS6KA3 (0.44) KITCCNCCDK8CDK19
SCHEMBL3723058 0.86 KIT (0.48) KITJAK1JAK3JAK2CCNC
SCHEMBL3723942 0.85 ACVR1 (0.52) KITUSP2TP53TSHRJAK1
SCHEMBL3774558 0.82 AKT1 (0.45) KITLMNAMAPK1JAK1JAK3
SCHEMBL3720578 0.81 AKT1 (0.58)
SCHEMBL3720574 0.81 AKT1 (0.58)
SCHEMBL3718783 0.80 AKT1 (0.46)
SCHEMBL3718785 0.80 AKT1 (0.46)
SCHEMBL3723051 0.80 AKT1 (0.43) NEK1KITLMNAMAPK1JAK1

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 NEK1 326/4885KIT 1127/4885KDM4E 3396/4885
US-20100324041-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, BUB1B NEK1 324/4885KIT 1158/4885KDM4E 3397/4885

“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.