SCHEMBL1048839

SCHEMBL1048839

COc1ncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(C4CCN(C)CC4)cc3)n2)c(OC)n1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 15/20 0.66
JAK1 P23458 1/20 0.41
MAP4K1 Q92918 2/20 0.40
EGFR P00533 1/20 0.40
BRD4 O60885 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
SCHEMBL1069436 0.91 ZAP70 (0.65) ZAP70JAK1MAP4K1EGFR
SCHEMBL1047250 0.91 ZAP70 (0.58) ZAP70JAK1
SCHEMBL1049231 0.89 ZAP70 (0.54) ZAP70JAK1
SCHEMBL1046435 0.89 ZAP70 (0.78) ZAP70JAK1MAP4K1EGFR
SCHEMBL27806221 0.87 ZAP70 (0.55) ZAP70EGFR
SCHEMBL1082142 0.86 ZAP70 (0.65) ZAP70JAK1EGFR
SCHEMBL1049153 0.84 ZAP70 (0.66) ZAP70JAK1MAP4K1EGFR
SCHEMBL1047774 0.84 ZAP70 (0.68) ZAP70JAK1MAP4K1EGFR
SCHEMBL1046635 0.83 ZAP70 (0.70) ZAP70JAK1MAP4K1EGFR
SCHEMBL1047939 0.83 ZAP70 (0.74) ZAP70JAK1MAP4K1EGFR

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 6 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
EP-2238137-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-10-13 EP 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 4/4885JAK1 90/4885MAP4K1 254/4885

“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.