SCHEMBL1046836

SCHEMBL1046836

COc1nccnc1-c1cc2cc[nH]c(=O)c2c(Nc2ccc(N3CCO[C@H](C)C3)c(F)c2)n1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 17/20 0.61
LRRK2 Q5S007 1/20 0.36
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
ATR Q13535 1/20 0.34
ATRIP Q8WXE1 1/20 0.34

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
SCHEMBL1049063 0.92 ZAP70 (0.73) ZAP70JAK2JAK1
SCHEMBL1048402 0.90 ZAP70 (0.52) ZAP70JAK2JAK1
SCHEMBL1050217 0.86 ZAP70 (0.73) ZAP70LRRK2
SCHEMBL1049067 0.85 ZAP70 (0.60) ZAP70LRRK2
SCHEMBL1048040 0.84 ZAP70 (0.61) ZAP70LRRK2
SCHEMBL1047888 0.84 ZAP70 (0.73) ZAP70
SCHEMBL1049846 0.83 ZAP70 (0.75) ZAP70
SCHEMBL1045697 0.83 ZAP70 (0.60) ZAP70JAK2JAK1ATRATRIP
SCHEMBL1048082 0.83 ZAP70 (0.72) ZAP70
SCHEMBL1047795 0.83 ZAP70 (0.65) ZAP70JAK2JAK1

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 8 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

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 517/4885JAK2 63/4885

“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.