SCHEMBL16747873

SCHEMBL16747873

COC(=O)c1cc(Cl)nc(-c2c(C(F)(F)F)nc3ccccn23)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.45
▸ ALDH1A1 P00352 5/20 0.45
▸ DAPK3 O43293 1/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ PRKD3 O94806 1/20 0.42
▸ MAP4K4 O95819 1/20 0.42
▸ ABL1 P00519 1/20 0.42
▸ CSF1R P07333 1/20 0.42
▸ RET P07949 1/20 0.42
▸ MET P08581 1/20 0.42
▸ PDGFRA P16234 1/20 0.42
▸ PRKACA P17612 1/20 0.42
▸ LTK P29376 1/20 0.42
▸ GRK5 P34947 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ MAPK8 P45983 1/20 0.42
▸ MAPK9 P45984 1/20 0.42
▸ CSNK1A1 P48729 1/20 0.42
▸ CDK8 P49336 1/20 0.42
▸ CLK2 P49760 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
SCHEMBL18100945 0.85 CDK2 (0.48) KDM4EALDH1A1DAPK3JAK2PRKD3
SCHEMBL16747874 0.82 NTRK1 (0.43) KDM4EALDH1A1DAPK3JAK2PRKD3
SCHEMBL16740179 0.75 ALDH1A1 (0.42) ALDH1A1RPS6KA3HSD17B10NR1I3SMN1; SMN2
SCHEMBL16739675 0.75 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10NR1I3
SCHEMBL7965204 0.75 CDK2 (0.54) DAPK3PRKD3MAP4K4CSF1RRET
SCHEMBL16740008 0.75 HSD17B10 (0.41) KDM4EALDH1A1HPGDHSD17B10NR1I3
SCHEMBL18103447 0.73 NTRK1 (0.42) ABL1PKMCDK4CCNE1CDK2
SCHEMBL16740030 0.73 HSD17B10 (0.40) KDM4EALDH1A1HPGDHSD17B10NR1I3
SCHEMBL18100942 0.72 CDK2 (0.44) KDM4EALDH1A1PRKD3MAP4K4MAPK8
SCHEMBL14479830 0.71 KDM4E (0.53) KDM4EALDH1A1HPGDGAASMN1; SMN2

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-20160280685-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. 2016-09-29 — — US disclosed
WO-2015076800-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. (US) 2015-05-28 — — 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-20160280685-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS BMI1, BAZ2A, BAZ2B KDM4E 102/4885ALDH1A1 1727/4885DAPK3 2426/4885

“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.

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