SCHEMBL1049604

SCHEMBL1049604

CC(=O)N1CCC(c2ccc(Nc3nc(-c4cnc(N)nc4)cc4ccn(C)c(=O)c34)cc2C)CC1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 6/20 0.59
SYK P43405 8/20 0.41
MAP3K12 Q12852 2/20 0.39
SOS1 Q07889 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
BTK Q06187 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
SCHEMBL1044965 0.86 ZAP70 (0.67) ZAP70MAP3K12
SCHEMBL1049048 0.85 ZAP70 (0.57) ZAP70SYK
SCHEMBL1047491 0.80 ZAP70 (0.67) ZAP70SYK
SCHEMBL1080971 0.79 ZAP70 (0.62) ZAP70SYKMAP3K12
SCHEMBL3357832 0.79 ZAP70 (0.42) ZAP70SYKMAP3K12SOS1BTK
SCHEMBL1049360 0.78 ZAP70 (0.65) ZAP70SYKMAP3K12
SCHEMBL1048484 0.78 ZAP70 (0.64) ZAP70SYKMAP3K12
SCHEMBL1049094 0.78 ZAP70 (0.68) ZAP70SYK
SCHEMBL1046862 0.78 ZAP70 (0.70) ZAP70SYK
SCHEMBL1048203 0.77 ZAP70 (0.80) 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 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
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-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

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 2/4885MAP3K12 157/4885

“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.