SCHEMBL10003093

SCHEMBL10003093

CCOC(=O)c1c(OCC)c2nc(OS(=O)(=O)C(F)(F)F)c(CC)cc2n1C

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.35
▸ LMNA P02545 1/20 0.35
▸ ALDH1A1 P00352 5/20 0.34
▸ HPGD P15428 3/20 0.34
▸ HSD17B10 Q99714 2/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ MAPT P10636 4/20 0.32
▸ POLB P06746 2/20 0.32
▸ JMJD6 Q6NYC1 1/20 0.32
▸ KMT2A Q03164 2/20 0.31
▸ ELANE P08246 1/20 0.31
▸ PPARG P37231 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ MAOB P27338 1/20 0.31

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
SCHEMBL10003291 0.93 KDM4E (0.35) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL10003687 0.89 MAPT (0.35) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL10003325 0.85 KDM4E (0.35) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL10002969 0.80 KMT2A (0.44) KDM4ELMNAALDH1A1HPGDMAPT
SCHEMBL10003352 0.79 MAPT (0.40) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL10004428 0.78 ALDH1A1 (0.41) KDM4ELMNAALDH1A1HPGDMAPT
SCHEMBL10004289 0.76 MAPT (0.39) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL10003285 0.74 HTT (0.49) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL10004315 0.74 NPC1 (0.42) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL1922172 0.72 ADORA1 (0.37) KDM4ELMNAALDH1A1HPGDADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471789-B9 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-03-25 — — EP disclosed
EP-2471789-B1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-09-17 — — EP disclosed
US-8486965-B2 Pyrrolo[2,3-b]pyridine derivative and use thereof for treatment of cancer TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-16 — — US disclosed
US-20120220569-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-30 — — US disclosed
EP-2471789-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-07-04 — — 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-20120220569-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF SMO, GLI1, SHH KDM4E 405/4885LMNA 4452/4885ALDH1A1 321/4885

“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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