SCHEMBL1045730

SCHEMBL1045730

CCN1CCN(CCc2ccc(Nc3nc(-c4cnc(N)c(C)c4)cc4cc[nH]c(=O)c34)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 16/20 0.65
CDK1 P06493 1/20 0.46
KDR P35968 1/20 0.46
SYK P43405 3/20 0.42
JAK2 O60674 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
SCHEMBL1045440 0.90 ZAP70 (0.68) ZAP70CDK1KDRSYKJAK2
SCHEMBL1046959 0.86 ZAP70 (0.49) ZAP70
SCHEMBL1159712 0.85 ZAP70 (0.69) ZAP70CDK1KDRSYKJAK2
SCHEMBL1049749 0.81 ZAP70 (0.61) ZAP70CDK1KDRSYK
SCHEMBL1158026 0.80 ZAP70 (0.57) ZAP70CDK1KDRSYK
SCHEMBL1049109 0.80 ZAP70 (0.56) ZAP70CDK1KDRSYK
SCHEMBL12874343 0.80 ZAP70 (0.61) ZAP70CDK1KDRSYKJAK2
SCHEMBL1157920 0.80 ZAP70 (0.63) ZAP70CDK1KDRSYK
SCHEMBL1079019 0.80 ZAP70 (0.48) ZAP70KDRSYK
SCHEMBL1048294 0.80 ZAP70 (0.62) ZAP70SYK

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
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
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 4/4885CDK1 798/4885KDR 18/4885

“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.