SCHEMBL5206674

SCHEMBL5206674

COC(=O)CCc1oc(-n2cnc3ccccc32)nc1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 4/20 0.46
MKNK2 Q9HBH9 3/20 0.46
RXRA P19793 2/20 0.39
RXRB P28702 2/20 0.39
RXRG P48443 2/20 0.39
FGFR1 P11362 2/20 0.38
PTGS1 P23219 1/20 0.38
EPHX2 P34913 1/20 0.38
PTGS2 P35354 1/20 0.38
MAPT P10636 4/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PLK1 P53350 2/20 0.36
RPS6KB2 Q9UBS0 1/20 0.36
KDM4E B2RXH2 2/20 0.35
NEK2 P51955 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
SCHEMBL5206515 0.89 MKNK1 (0.44) MKNK1MKNK2RXRARXRBRXRG
SCHEMBL5211644 0.89 RXRA (0.50) MKNK1MKNK2RXRARXRBRXRG
SCHEMBL5209069 0.88 MKNK2 (0.44) MKNK1MKNK2FGFR1MAPTRAB9A
SCHEMBL5212186 0.86 HTT (0.46) MKNK1MKNK2FGFR1MAPTRAB9A
SCHEMBL5211558 0.86 MAPK14 (0.41) MKNK1MKNK2FGFR1MAPTRAB9A
SCHEMBL5212615 0.84 ALDH1A1 (0.42) MKNK1MKNK2FGFR1MAPTRAB9A
SCHEMBL1360271 0.81 RXRA (0.38) RXRARXRBRXRGPTGS1EPHX2
SCHEMBL5211121 0.80 MAPT (0.38) EPHX2MAPTRAB9A
SCHEMBL5210727 0.80 TRPV1 (0.42) MAPTMEN1KMT2A
SCHEMBL5208632 0.79 KCNH2 (0.38) MKNK1MKNK2MAPTMEN1KMT2A

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-7183276-B2 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-20050090534-A1 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-28 US disclosed
EP-1486490-A1 AZOLE COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2004-12-15 EP 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-20050090534-A1 Azole compounds AHR, NR0B2, NR2C2 MKNK1 3524/4885MKNK2 2303/4885RXRA 1231/4885

“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.