SCHEMBL1049236

SCHEMBL1049236

CCCCOc1ccccc1-c1cc2cc[nH]c(=O)c2c(Nc2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 5/20 0.52
ZAP70 P43403 5/20 0.50
JAK2 O60674 9/20 0.45
JAK3 P52333 8/20 0.45
PTK2 Q05397 8/20 0.45
SYK P43405 1/20 0.43
NAMPT P43490 1/20 0.42

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
SCHEMBL1050315 0.97 JAK1 (0.52) JAK1ZAP70JAK2JAK3PTK2
SCHEMBL28790510 0.91 ZAP70 (0.53) JAK1ZAP70JAK2SYK
SCHEMBL1049973 0.89 ZAP70 (0.53) JAK1ZAP70JAK2JAK3PTK2
SCHEMBL1048052 0.89 ZAP70 (0.50) JAK1ZAP70JAK2JAK3PTK2
SCHEMBL3359713 0.89 ZAP70 (0.53) JAK1ZAP70
SCHEMBL28790588 0.87 ZAP70 (0.53) JAK1ZAP70JAK2SYK
SCHEMBL1046981 0.85 ZAP70 (0.59) JAK1ZAP70JAK2JAK3PTK2
SCHEMBL1049267 0.85 JAK1 (0.52) JAK1ZAP70JAK2JAK3PTK2
SCHEMBL1047041 0.85 ZAP70 (0.50) JAK1ZAP70JAK2JAK3PTK2
SCHEMBL1048454 0.84 ZAP70 (0.53) JAK1ZAP70JAK2JAK3PTK2

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 4 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-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 JAK1 90/4885ZAP70 4/4885JAK2 63/4885

“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.