SCHEMBL1048639

SCHEMBL1048639

CC(C)Cn1cc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(C4CCN(C)CC4)cc3)n2)cn1

nearest known ligand 0.83

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 13/20 0.83
MAP4K1 Q92918 4/20 0.43
JAK1 P23458 1/20 0.42
SYK P43405 1/20 0.41
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
MAP4K3 Q8IVH8 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
SCHEMBL1048726 0.91 ZAP70 (0.80) ZAP70JAK1SYK
SCHEMBL1048411 0.91 ZAP70 (0.79) ZAP70SYKBRD4CREBBP
SCHEMBL1047037 0.91 ZAP70 (1.00) ZAP70JAK1SYKBRD4CREBBP
SCHEMBL1047856 0.91 ZAP70 (0.78) ZAP70SYK
SCHEMBL1044257 0.91 ZAP70 (0.76) ZAP70SYK
SCHEMBL1048610 0.89 ZAP70 (0.79) ZAP70MAP4K1JAK1MAP4K3
SCHEMBL1045867 0.88 ZAP70 (0.84) ZAP70JAK1BRD4CREBBP
SCHEMBL1056458 0.88 ZAP70 (0.65) ZAP70MAP4K1SYKBRD4CREBBP
SCHEMBL1045875 0.87 ZAP70 (0.82) ZAP70JAK1BRD4CREBBP
SCHEMBL1046606 0.85 ZAP70 (0.68) ZAP70JAK1SYK

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 4/4885MAP4K1 254/4885JAK1 90/4885

“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.