SCHEMBL1048882

SCHEMBL1048882

COc1ccc(Nc2nc(CCCN)cc3cc[nH]c(=O)c23)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 7/20 0.61
CHEK1 O14757 5/20 0.41
BRAF P15056 1/20 0.40
SYK P43405 3/20 0.39
ABCG2 Q9UNQ0 2/20 0.38
ABCB1 P08183 1/20 0.38
ABCC1 P33527 1/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 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
SCHEMBL1048455 0.89 ZAP70 (0.56) ZAP70CHEK1ABCG2ABCB1ABCC1
SCHEMBL1049254 0.86 ZAP70 (0.60) ZAP70CHEK1BRAF
SCHEMBL1046985 0.85 ZAP70 (0.58) ZAP70CHEK1SYKMAPT
SCHEMBL1048403 0.80 ZAP70 (0.58) ZAP70CHEK1
SCHEMBL12928808 0.79 ZAP70 (0.62) ZAP70CHEK1
SCHEMBL1050510 0.78 ZAP70 (0.51) ZAP70BRAFSYK
SCHEMBL1046978 0.77 ZAP70 (0.70) ZAP70CHEK1BRAFSYK
SCHEMBL12928803 0.77 ZAP70 (0.55) ZAP70CHEK1SYK
SCHEMBL1048459 0.76 ZAP70 (1.00) ZAP70SYK
SCHEMBL1048175 0.76 ZAP70 (0.65) ZAP70CHEK1SYK

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 11 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
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
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 4/4885CHEK1 900/4885BRAF 113/4885

“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.