SCHEMBL19475696

SCHEMBL19475696

COc1ccc(-c2ccco2)cc1Nc1ncnc2[nH]nc(-c3ccco3)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.40
EGFR P00533 1/20 0.39
DYRK1A Q13627 1/20 0.38
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 1/20 0.38
CLK4 Q9HAZ1 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TP53 P04637 1/20 0.37
NFKB1 P19838 1/20 0.37
MAPK1 P28482 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
MKNK1 Q9BUB5 2/20 0.37
SMPD3 Q9NY59 1/20 0.36
ADORA2A P29274 2/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL19507750 0.93 MAPT (0.41) FYNEGFRDYRK1APIK3R1PIK3CA
SCHEMBL19507751 0.91 MKNK1 (0.38) FYNEGFRCLK4MEN1KMT2A
SCHEMBL19507678 0.91 CLK4 (0.41) FYNDYRK1APIK3R1PIK3CACLK4
SCHEMBL19507771 0.89 MKNK1 (0.40) FYNEGFRCLK4MEN1KMT2A
SCHEMBL19507728 0.88 LRRK2 (0.37) FYNDYRK1APIK3R1PIK3CAMAPK1
SCHEMBL19507752 0.87 FYN (0.35) FYNDYRK1APIK3R1PIK3CAMEN1
SCHEMBL19507682 0.87 MAPT (0.41) EGFRMEN1KMT2ATP53MAPK1
SCHEMBL12067067 0.84 TNNI3K (0.55)
SCHEMBL19507744 0.81 KMT2A (0.41) FYNPIK3R1PIK3CAMEN1KMT2A
SCHEMBL19507649 0.80 MAPK8 (0.45) EGFRMEN1KMT2AMKNK1KDM4E

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-20190119284-A1 ErbB Inhibitors and Uses Thereof THE SCRIPPS RESEARCH INSTITUTE 2019-04-25 US disclosed
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
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 227/4885EGFR 3/4885DYRK1A 326/4885

“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.