SCHEMBL10004342

SCHEMBL10004342

CCOC(=O)c1c(OCC(F)(F)F)c2cc(-c3cccc(F)c3)c(CC)nc2n1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK1D P48730 1/20 0.43
▸ KDM4E B2RXH2 5/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ HPGD P15428 3/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ TRPM8 Q7Z2W7 1/20 0.40
▸ LMNA P02545 2/20 0.37
▸ JAK2 O60674 2/20 0.37
▸ JAK3 P52333 2/20 0.37
▸ ELANE P08246 1/20 0.36
▸ GRIN1 Q05586 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ SYK P43405 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
SCHEMBL10003156 0.91 KDM4E (0.41) CSNK1DKDM4EALDH1A1HPGDGAA
SCHEMBL10003319 0.90 GRIA2 (0.41) CSNK1DKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL10003348 0.90 ALDH1A1 (0.44) KDM4EALDH1A1HPGDL3MBTL1GAA
SCHEMBL10003738 0.90 MAPT (0.44) CSNK1DKDM4EALDH1A1HPGDMAPT
SCHEMBL10004644 0.89 ALDH1A1 (0.37) CSNK1DKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL10002806 0.88 CCKAR (0.37) KDM4EALDH1A1HPGDL3MBTL1GAA
SCHEMBL10003145 0.88 KDM4E (0.45) KDM4EALDH1A1HPGDMEN1MAPT
SCHEMBL10003955 0.87 ALDH1A1 (0.40) KDM4EALDH1A1HPGDL3MBTL1GAA
SCHEMBL10003298 0.87 ALDH1A1 (0.37) KDM4EALDH1A1HPGDL3MBTL1GAA
SCHEMBL10003637 0.86 MAPT (0.40) KDM4EALDH1A1L3MBTL1GAAMEN1

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 CSNK1D 2249/4885KDM4E 405/4885ALDH1A1 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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