SCHEMBL10003325

SCHEMBL10003325

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

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ HPGD P15428 2/20 0.35
▸ LMNA P02545 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ JMJD6 Q6NYC1 1/20 0.32
▸ MAPT P10636 3/20 0.32
▸ GLA P06280 1/20 0.32
▸ RORC P51449 1/20 0.32
▸ POLB P06746 2/20 0.31
▸ PPARG P37231 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ ADORA1 P30542 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ L3MBTL1 Q9Y468 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) KDM4EALDH1A1HPGDLMNAHSD17B10
SCHEMBL10003093 0.85 KDM4E (0.35) KDM4EALDH1A1HPGDLMNAHSD17B10
SCHEMBL10003557 0.80 CYP1A2 (0.44) KDM4EALDH1A1HPGDLMNAHSD17B10
SCHEMBL10003687 0.79 MAPT (0.35) KDM4EALDH1A1HPGDLMNAHSD17B10
SCHEMBL10004289 0.77 MAPT (0.39) KDM4EALDH1A1HPGDLMNAHSD17B10
SCHEMBL10004428 0.77 ALDH1A1 (0.41) KDM4EALDH1A1HPGDLMNAJMJD6
SCHEMBL10003465 0.77 MAPT (0.39) KDM4EALDH1A1HPGDLMNAHSD17B10
SCHEMBL10004315 0.76 NPC1 (0.42) KDM4EALDH1A1HPGDLMNAHSD17B10
SCHEMBL10003697 0.72 MAPT (0.43) KDM4EALDH1A1HPGDLMNAHSD17B10
SCHEMBL10004267 0.71 KDM4E (0.38) KDM4EALDH1A1HPGDLMNAHSD17B10

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 405/4885ALDH1A1 321/4885HPGD 539/4885

“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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