SCHEMBL1045642

SCHEMBL1045642

Cc1cc(Nc2nc(-c3cnn(C)c3)cc3cc[nH]c(=O)c23)ccc1C1CCNCC1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 14/20 0.64
SYK P43405 3/20 0.44
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
FER P16591 1/20 0.39
CHEK1 O14757 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
SCHEMBL1048534 0.88 ZAP70 (0.65) ZAP70SYKJAK2JAK1
SCHEMBL1046571 0.88 ZAP70 (0.66) ZAP70SYKJAK2JAK1
SCHEMBL1047921 0.87 ZAP70 (0.79) ZAP70SYKFER
SCHEMBL1049339 0.86 ZAP70 (0.53) ZAP70SYKJAK2JAK1CHEK1
SCHEMBL12874370 0.84 ZAP70 (0.60) ZAP70SYKFER
SCHEMBL1048657 0.84 ZAP70 (0.63) ZAP70SYKFER
SCHEMBL12794833 0.83 ZAP70 (0.68) ZAP70SYKFER
SCHEMBL1047806 0.83 ZAP70 (0.66) ZAP70SYKFER
SCHEMBL1048987 0.82 ZAP70 (0.58) ZAP70SYKFER
SCHEMBL1049133 0.81 ZAP70 (0.57) ZAP70SYKFER

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 10 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-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 4/4885SYK 2/4885JAK2 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.