SCHEMBL1048484

SCHEMBL1048484

COc1ncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(C4CCN(C(C)=O)CC4)c(C)c3)n2)cn1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 15/20 0.64
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
KDR P35968 1/20 0.36
SYK P43405 1/20 0.36
KCNH2 Q12809 1/20 0.36
MAP3K12 Q12852 1/20 0.36
FER P16591 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
SCHEMBL1044965 0.92 ZAP70 (0.67) ZAP70PIK3CAMAP3K12FER
SCHEMBL1047940 0.91 ZAP70 (0.68) ZAP70SYKFER
SCHEMBL1049360 0.90 ZAP70 (0.65) ZAP70KDRSYKKCNH2MAP3K12
SCHEMBL1047586 0.89 ZAP70 (0.80) ZAP70PIK3CASYKFER
SCHEMBL1048203 0.89 ZAP70 (0.80) ZAP70SYKFER
SCHEMBL1080971 0.88 ZAP70 (0.62) ZAP70KDRSYKKCNH2MAP3K12
SCHEMBL1048657 0.88 ZAP70 (0.63) ZAP70SYKFER
SCHEMBL1048619 0.86 ZAP70 (0.55) ZAP70KDRSYKKCNH2
SCHEMBL6525190 0.86 ZAP70 (0.77) ZAP70SYKFER
SCHEMBL1049107 0.86 ZAP70 (0.63) ZAP70FER

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
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 4/4885PIK3CA 118/4885MTOR 886/4885

“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.