SCHEMBL1049202

SCHEMBL1049202

COc1cncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(N4C[C@@H](C)O[C@@H](C)C4)nc3)n2)n1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 16/20 0.61
LRRK2 Q5S007 1/20 0.43
SYK P43405 1/20 0.37
BTK Q06187 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL1048421 0.91 ZAP70 (0.60) ZAP70SYK
SCHEMBL1048901 0.91 ZAP70 (0.60) ZAP70SYK
SCHEMBL1158292 0.85 ZAP70 (0.58) ZAP70LRRK2BTKKCNH2
SCHEMBL1158132 0.83 ZAP70 (0.49) ZAP70BTKKCNH2
SCHEMBL1158379 0.83 ZAP70 (0.66) ZAP70BTKKCNH2
SCHEMBL1048497 0.80 ZAP70 (0.77) ZAP70SYK
SCHEMBL1048634 0.80 ZAP70 (0.73) ZAP70
SCHEMBL1045858 0.80 ZAP70 (0.69) ZAP70LRRK2
SCHEMBL1048040 0.79 ZAP70 (0.61) ZAP70LRRK2
SCHEMBL3361841 0.79 LRRK2 (0.39) ZAP70LRRK2SYKBTKKCNH2

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 4/4885LRRK2 517/4885SYK 2/4885

“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.