SCHEMBL21672280

SCHEMBL21672280

O=[N+]([O-])c1ccc(Cl)nc1Nc1ccc2[nH]c(C(F)(F)F)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 3/20 0.51
▸ HSF1 Q00613 1/20 0.42
▸ BRD4 O60885 3/20 0.41
▸ MAPT P10636 6/20 0.40
▸ RPS6KB2 Q9UBS0 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ FGFR2 P21802 1/20 0.36
▸ FGFR3 P22607 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ ABCG2 Q9UNQ0 1/20 0.35
▸ PIN1 Q13526 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 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
SCHEMBL29394299 1.00 FGFR4 (0.51) FGFR4HSF1BRD4MAPTRPS6KB2
SCHEMBL29393230 0.78 FGFR4 (0.47) FGFR4HSF1BRD4MAPTRPS6KB2
SCHEMBL21672282 0.78 FGFR4 (0.47) FGFR4HSF1BRD4MAPTRPS6KB2
SCHEMBL16739538 0.77 FGFR4 (0.65) FGFR4MAPTHTTHPGDALDH1A1
SCHEMBL9984822 0.74 FGFR4 (0.52) FGFR4HSF1BRD4MAPTRPS6KB2
SCHEMBL6789738 0.74 HSF1 (0.72) FGFR4HSF1MAPTPOLB
SCHEMBL29393275 0.73 FGFR4 (0.54) FGFR4HSF1MAPTPOLBALDH1A1
SCHEMBL29392511 0.73 FGFR4 (0.54) FGFR4HSF1BRD4MAPTRPS6KB2
SCHEMBL14762497 0.73 FGFR4 (0.51) FGFR4MAPTRPS6KB2HTTNPSR1
SCHEMBL12705359 0.72 FGFR4 (0.52) FGFR4BRD4MAPTRPS6KB2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200039989-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2020-02-06 — — US 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-20200039989-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF CLK2, CLK1, CLK3 FGFR4 1415/4885HSF1 2855/4885BRD4 356/4885

“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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