SCHEMBL1044404

SCHEMBL1044404

COc1cccc(OC)c1-c1cc2cc[nH]c(=O)c2c(Nc2ccccc2OCCC(C)C)n1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.40
JAK2 O60674 3/20 0.39
ZAP70 P43403 8/20 0.37
LYN P07948 1/20 0.37
SYK P43405 1/20 0.37
TTK P33981 1/20 0.36
P2RX7 Q99572 3/20 0.35
MAPT P10636 1/20 0.35
IDO1 P14902 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK14 Q16539 1/20 0.34

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
SCHEMBL1048184 0.92 IGF1R (0.39) EGFRJAK2ZAP70LYNSYK
SCHEMBL1050089 0.91 HTT (0.43) EGFRJAK2SYK
SCHEMBL1045744 0.90 EGFR (0.34) EGFRJAK2ZAP70LYNSYK
SCHEMBL1046744 0.85 HTT (0.38) JAK2ALDH1A1
SCHEMBL1078959 0.85 JAK2 (0.35) EGFRJAK2ZAP70TTKMAPT
SCHEMBL27826692 0.84 ZAP70 (0.42) JAK2ZAP70LYNSYKIDO1
SCHEMBL1048756 0.83 ZAP70 (0.41) JAK2ZAP70LYNSYKMAPT
SCHEMBL1047792 0.82 ZAP70 (0.37) EGFRJAK2ZAP70LYNSYK
SCHEMBL1048401 0.82 ZAP70 (0.48) JAK2ZAP70LYNSYK
SCHEMBL1045695 0.81 PDE1A (0.37) ZAP70IDO1MEN1KMT2A

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 3 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
CN-101990539-A Compounds and compositions as kinase inhibitors IRM LLC 2011-03-23 CN 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 EGFR 237/4885JAK2 63/4885ZAP70 4/4885

“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.