SCHEMBL1044934

SCHEMBL1044934

COc1cc(Nc2nc(-c3cnc(N)nc3)cc3cc[nH]c(=O)c23)ccc1C

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 14/20 0.51
PIK3CG P48736 1/20 0.41
SYK P43405 3/20 0.39
CD63 P08962 1/20 0.39
BRAF P15056 1/20 0.39
DHFR P00374 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
SCHEMBL1050510 0.92 ZAP70 (0.51) ZAP70PIK3CGSYKCD63BRAF
SCHEMBL1049558 0.89 ZAP70 (0.62) ZAP70SYK
SCHEMBL1050363 0.89 ZAP70 (0.48) ZAP70BRAF
SCHEMBL1048381 0.87 ZAP70 (0.49) ZAP70
SCHEMBL1048322 0.86 ZAP70 (0.53) ZAP70
SCHEMBL1049708 0.85 ZAP70 (0.51) ZAP70
SCHEMBL1048039 0.85 ZAP70 (0.54) ZAP70
SCHEMBL1078799 0.85 ZAP70 (0.51) ZAP70BRAF
SCHEMBL27826839 0.85 ZAP70 (0.54) ZAP70
SCHEMBL1049061 0.84 ZAP70 (0.49) ZAP70

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 9 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
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 4/4885PIK3CG 148/4885SYK 2/4885

“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.