SCHEMBL1047272

SCHEMBL1047272

COc1cncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(N4CCN(C)CC4)cc3OC)n2)n1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 4/20 0.57
PTK2 Q05397 2/20 0.46
MAPK7 Q13164 7/20 0.45
LRRK2 Q5S007 5/20 0.45
TNK2 Q07912 4/20 0.45
GAK O14976 1/20 0.45
DCLK1 O15075 1/20 0.45
BRD4 O60885 1/20 0.45
TNK1 Q13470 1/20 0.45
DCLK2 Q8N568 1/20 0.45
ALK Q9UM73 3/20 0.45
IGF1R P08069 2/20 0.45
INSR P06213 1/20 0.45
CDK2 P24941 1/20 0.44
DYRK1B Q9Y463 1/20 0.44

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
SCHEMBL15795524 0.84 PTK2 (0.50) PTK2MAPK7LRRK2TNK2GAK
SCHEMBL1045858 0.80 ZAP70 (0.69) ZAP70LRRK2
SCHEMBL1158204 0.79 ZAP70 (0.64) ZAP70
SCHEMBL1048733 0.79 ZAP70 (0.47) ZAP70PTK2MAPK7LRRK2TNK2
SCHEMBL1048135 0.78 ZAP70 (0.89) ZAP70
SCHEMBL11296289 0.77 ALK (0.50) PTK2MAPK7LRRK2TNK2GAK
SCHEMBL1158303 0.77 ZAP70 (0.66) ZAP70
SCHEMBL1049791 0.77 ZAP70 (0.65) ZAP70
SCHEMBL1049310 0.77 ZAP70 (0.81) ZAP70
SCHEMBL1050414 0.76 ZAP70 (0.67) ZAP70BRD4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546370-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2013-10-01 US claimed
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-01-06 US claimed
US-8546370-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2013-10-01 US disclosed
US-8546370-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2013-10-01 US disclosed
US-8546370-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2013-10-01 US disclosed
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-01-06 US disclosed
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-01-06 US disclosed
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-01-06 US disclosed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 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 (1 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-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FYN, SYK, RET ZAP70 4/4885PTK2 54/4885MAPK7 135/4885

“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.