SCHEMBL1045893

SCHEMBL1045893

CCN1CCC(c2ccc(Nc3nc(-c4ccccc4S(C)(=O)=O)cc4cc[nH]c(=O)c34)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 14/20 0.55
ALK Q9UM73 1/20 0.43
JAK2 O60674 3/20 0.39
PTK2 Q05397 3/20 0.39
JAK3 P52333 2/20 0.39
JAK1 P23458 1/20 0.39
SYK P43405 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
SCHEMBL1050369 0.86 ZAP70 (0.56) ZAP70JAK2PTK2JAK3JAK1
SCHEMBL1043566 0.86 ZAP70 (0.59) ZAP70ALKJAK2PTK2SYK
SCHEMBL1045165 0.85 ZAP70 (0.61) ZAP70JAK2JAK1SYK
SCHEMBL1045395 0.83 ZAP70 (0.64) ZAP70ALKJAK2SYK
SCHEMBL1046629 0.82 ZAP70 (0.57) ZAP70JAK1SYK
SCHEMBL1045720 0.82 ZAP70 (0.65) ZAP70JAK2JAK1SYK
SCHEMBL1048971 0.82 ZAP70 (0.56) ZAP70JAK2PTK2JAK3JAK1
SCHEMBL3360674 0.81 ZAP70 (0.69) ZAP70JAK2SYK
SCHEMBL1080959 0.81 ZAP70 (0.59) ZAP70ALKJAK2JAK1SYK
SCHEMBL1045378 0.80 ZAP70 (0.59) ZAP70JAK2JAK1SYK

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 4 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-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 4/4885ALK 9/4885JAK2 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.