SCHEMBL10004059

SCHEMBL10004059

CCOC(=O)c1c(OCC(F)(F)F)c2c(=O)n(-c3cccc(F)c3)c(CC)cc2n1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 1/20 0.46
▸ THRB P10828 2/20 0.37
▸ MAPT P10636 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ ELANE P08246 1/20 0.36
▸ BCHE P06276 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ JAK2 O60674 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
SCHEMBL10004932 0.92 SMO (0.50) SMOTHRBMAPTALDH1A1GAA
SCHEMBL10003694 0.92 MAPT (0.40) SMOTHRBMAPTALDH1A1GAA
SCHEMBL10004446 0.90 SMO (0.47) SMOALDH1A1
SCHEMBL10004261 0.90 SMO (0.45) SMOTHRBMAPTALDH1A1GAA
SCHEMBL10004152 0.88 SMO (0.47) SMOTHRBMAPTALDH1A1POLB
SCHEMBL10003740 0.86 SMO (0.45) SMOMAPTALDH1A1GAASMN1; SMN2
SCHEMBL10004511 0.86 MAPT (0.38) THRBMAPTALDH1A1GAAALOX15
SCHEMBL10004847 0.86 SMO (0.45) SMOMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL10003684 0.84 MAPT (0.44) THRBMAPTALDH1A1GAAALOX15
SCHEMBL10004363 0.82 NOTUM (0.38) SMOALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471790-B1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-03-18 — — EP disclosed
US-8907089-B2 Fused heterocyclic ring derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-09 — — US disclosed
US-20120220570-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-30 — — US disclosed
EP-2471790-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-20120220570-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF SMO, GLI1, SHH SMO 1/4885THRB 2094/4885MAPT 4783/4885

“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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