SCHEMBL1044227

SCHEMBL1044227

CC(=O)N1CCC(c2ccc(Nc3nc(N4CCC(F)(F)C4)cc4cc[nH]c(=O)c34)cc2)CC1.CNC(=O)C(C)(C)c1ccc(Nc2nc(-c3cncc(S(C)(=O)=O)c3)cc3cc[nH]c(=O)c23)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 13/20 0.52
MAP3K12 Q12852 3/20 0.39
DLK1 P80370 2/20 0.36
DRG1 Q9Y295 1/20 0.36
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
JAK1 P23458 3/20 0.33
JAK2 O60674 1/20 0.33

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
SCHEMBL1047114 0.82 ZAP70 (0.58) ZAP70MAP3K12DLK1DRG1JAK1
SCHEMBL1049149 0.81 ZAP70 (0.77) ZAP70BRD4CREBBPJAK1JAK2
SCHEMBL1045384 0.78 ZAP70 (0.65) ZAP70BRD4CREBBPJAK1
SCHEMBL1044233 0.76 ZAP70 (0.77) ZAP70BRD4CREBBPJAK1JAK2
SCHEMBL1047819 0.76 ZAP70 (0.49) ZAP70MAP3K12DLK1DRG1JAK1
SCHEMBL1045649 0.76 ZAP70 (0.66) ZAP70BRD4CREBBPJAK1JAK2
SCHEMBL1046389 0.76 ZAP70 (0.68) ZAP70JAK1
SCHEMBL1045395 0.75 ZAP70 (0.64) ZAP70JAK2
SCHEMBL1046480 0.74 ZAP70 (0.61) ZAP70MAP3K12DLK1DRG1JAK1
SCHEMBL1049512 0.74 ZAP70 (0.81) ZAP70CREBBPJAK1

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 2 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 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 4/4885MAP3K12 157/4885DLK1 860/4885

“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.