SCHEMBL19507752

SCHEMBL19507752

COc1ccc(-c2sccc2C)cc1Nc1ncnc2[nH]nc(-c3ccco3)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.35
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
RIPK2 O43353 1/20 0.34
RIPK3 Q9Y572 1/20 0.34
RAF1 P04049 1/20 0.34
BRAF P15056 1/20 0.34
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
ALDH1A1 P00352 4/20 0.33
HPGD P15428 4/20 0.33
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.33
DYRK1A Q13627 1/20 0.33
MKNK1 Q9BUB5 2/20 0.33
PIK3R1 P27986 1/20 0.32
PIK3CA P42336 1/20 0.32
CSNK2A1 P68400 1/20 0.32
MAPK1 P28482 2/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL19475696 0.87 FYN (0.40) FYNHSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL19507750 0.85 MAPT (0.41) FYNRAF1BRAFMEN1KMT2A
SCHEMBL19507682 0.84 MAPT (0.41) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL19507726 0.83 MKNK1 (0.37) RIPK2RIPK3RAF1BRAFMEN1
SCHEMBL19508350 0.83 MAPT (0.31) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL19507678 0.82 CLK4 (0.41) FYNRAF1BRAFMEN1KMT2A
SCHEMBL19507728 0.80 LRRK2 (0.37) FYNMAPTDYRK1AMKNK1PIK3R1
SCHEMBL19507751 0.79 MKNK1 (0.38) FYNRAF1BRAFMEN1KMT2A
SCHEMBL19507771 0.77 MKNK1 (0.40) FYNRAF1BRAFMEN1KMT2A
SCHEMBL12067067 0.77 TNNI3K (0.55) BRAF

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190119284-A1 ErbB Inhibitors and Uses Thereof THE SCRIPPS RESEARCH INSTITUTE 2019-04-25 US disclosed
WO-2017184775-A1 ERBB INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-10-26 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-20190119284-A1 ErbB Inhibitors and Uses Thereof ERBB3, ERBB2, EGFR FYN 227/4885HSP90AA1 1026/4885HSP90AB1 491/4885

“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.