SCHEMBL1048229

SCHEMBL1048229

COc1cncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(C(=O)NC4CC4)cc3)n2)c1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 12/20 0.68
SYK P43405 1/20 0.42
RIPK2 O43353 4/20 0.41
MAPK14 Q16539 1/20 0.40
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40
PDE4B Q07343 1/20 0.39

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
SCHEMBL12928906 0.89 ZAP70 (0.58) ZAP70RIPK2MAPK14AURKAAURKB
SCHEMBL1045549 0.89 ZAP70 (0.66) ZAP70
SCHEMBL1048541 0.87 ZAP70 (0.61) ZAP70
SCHEMBL1045824 0.84 ZAP70 (0.67) ZAP70SYKMAPK14AURKAAURKB
SCHEMBL1047815 0.82 ZAP70 (0.83) ZAP70SYK
SCHEMBL1048924 0.81 ZAP70 (0.60) ZAP70SYK
SCHEMBL1047786 0.81 ZAP70 (1.00) ZAP70SYK
SCHEMBL1048840 0.81 ZAP70 (0.80) ZAP70SYK
SCHEMBL1047354 0.80 ZAP70 (0.81) ZAP70SYK
SCHEMBL1043361 0.80 ZAP70 (0.59) ZAP70SYK

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
CN-101990539-A Compounds and compositions as kinase inhibitors IRM LLC 2011-03-23 CN 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-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
EP-2238137-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-10-13 EP 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 4/4885SYK 2/4885RIPK2 295/4885

“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.