SCHEMBL5211558

SCHEMBL5211558

COC(=O)CCc1oc(-n2cnc3ccccc32)nc1-c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
GAA P10253 2/20 0.40
FGFR1 P11362 1/20 0.40
NAMPT P43490 1/20 0.40
MAPT P10636 2/20 0.38
RAB9A P51151 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 2/20 0.36
FAAH O00519 1/20 0.36
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL5209069 0.92 MKNK2 (0.44) MKNK1MKNK2FGFR1MAPTRAB9A
SCHEMBL5212186 0.91 HTT (0.46) MKNK1MKNK2GAAFGFR1MAPT
SCHEMBL5212615 0.90 ALDH1A1 (0.42) MAPK14MKNK1MKNK2MAPK13MAPK12
SCHEMBL5211394 0.88 HDAC6 (0.42) MAPK14MAPK13MAPK12MAPK11GAA
SCHEMBL5206674 0.86 MKNK1 (0.46) MKNK1MKNK2FGFR1MAPTRAB9A
SCHEMBL5206515 0.84 MKNK1 (0.44) MKNK1MKNK2FGFR1MAPTRAB9A
SCHEMBL5208205 0.82 TP53 (0.42) MAPTALDH1A1
SCHEMBL5213245 0.82 HTT (0.46) GAAFGFR1MAPTRAB9AHTT
SCHEMBL5216370 0.81 HDAC6 (0.46) MAPTHTTKDM4E
SCHEMBL5210230 0.81 SCN9A (0.39) MAPK14NAMPTMAPTKDM4EALDH1A1

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 MAPK14 1456/4885MKNK1 3524/4885MKNK2 2303/4885

“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.