SCHEMBL1046352

SCHEMBL1046352

O=c1[nH]ccc2cc(N3CCCC(F)(F)C3)nc(Nc3ccc(C4CCOCC4)cc3)c12

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 16/20 0.51
MAP3K12 Q12852 1/20 0.41
JAK2 O60674 2/20 0.38
SYK P43405 2/20 0.38
JAK1 P23458 1/20 0.36

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
SCHEMBL1048675 0.95 ZAP70 (0.53) ZAP70MAP3K12JAK2SYKJAK1
SCHEMBL1043425 0.91 ZAP70 (0.60) ZAP70JAK1
SCHEMBL1046480 0.87 ZAP70 (0.61) ZAP70MAP3K12JAK1
SCHEMBL1045828 0.87 ZAP70 (0.50) ZAP70MAP3K12
SCHEMBL1047114 0.84 ZAP70 (0.58) ZAP70MAP3K12JAK2SYKJAK1
SCHEMBL1047819 0.84 ZAP70 (0.49) ZAP70MAP3K12SYKJAK1
SCHEMBL1046478 0.81 ZAP70 (0.62) ZAP70SYKJAK1
SCHEMBL1048829 0.81 ZAP70 (0.78) ZAP70JAK2SYK
SCHEMBL1047558 0.77 ZAP70 (0.55) ZAP70JAK2JAK1
SCHEMBL1045613 0.77 ZAP70 (0.59) 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
EP-2238137-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-10-13 EP claimed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 WO 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 4/4885MAP3K12 157/4885JAK2 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.