SCHEMBL1048458

SCHEMBL1048458

N#Cc1ccccc1-c1cc2cc[nH]c(=O)c2c(Nc2ccc(N3CCOCC3)cc2)n1.O=c1[nH]ccc2c(-c3ccoc3)cnc(Nc3ccc(N4CCOCC4)cc3)c12

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 13/20 0.58
MAPKAPK5 Q8IW41 1/20 0.38
JAK2 O60674 4/20 0.38
SYK P43405 1/20 0.38
TTBK1 Q5TCY1 1/20 0.37
TTBK2 Q6IQ55 1/20 0.37
MAP3K11 Q16584 1/20 0.36
JAK1 P23458 1/20 0.35
JAK3 P52333 1/20 0.35

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
SCHEMBL1049985 0.87 ZAP70 (0.76) ZAP70JAK2SYKTTBK1TTBK2
SCHEMBL1048387 0.84 ZAP70 (0.73) ZAP70MAPKAPK5JAK2SYKTTBK1
SCHEMBL1048431 0.78 ZAP70 (0.62) ZAP70
SCHEMBL31061525 0.75 ZAP70 (1.00) ZAP70JAK2SYKTTBK1TTBK2
SCHEMBL1043246 0.75 ZAP70 (1.00) ZAP70JAK2SYKTTBK1TTBK2
SCHEMBL1044792 0.75 ZAP70 (1.00) ZAP70JAK2SYK
SCHEMBL1047707 0.74 ZAP70 (0.93) ZAP70JAK2SYK
SCHEMBL1046300 0.73 ALDH1A1 (0.51) ZAP70TTBK1TTBK2
SCHEMBL1048033 0.73 ZAP70 (0.70) ZAP70SYK
SCHEMBL1048800 0.73 ZAP70 (0.76) ZAP70JAK2SYKTTBK1TTBK2

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 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 4/4885MAPKAPK5 297/4885JAK2 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.