SCHEMBL10004511

SCHEMBL10004511

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.38
▸ CCKBR P32239 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ THRB P10828 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ ELANE P08246 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ SMN1; SMN2 Q16637 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
SCHEMBL10003694 0.91 MAPT (0.40) MAPTALDH1A1L3MBTL1THRBGAA
SCHEMBL10004368 0.90 NOTUM (0.38) ALDH1A1L3MBTL1PTGS1PTGS2MAPK1
SCHEMBL10004293 0.90 GABRA2 (0.39) MAPTALDH1A1L3MBTL1GAAMEN1
SCHEMBL10004187 0.89 MAPT (0.47) MAPTCCKBRALDH1A1THRBGAA
SCHEMBL10003684 0.87 MAPT (0.44) MAPTALDH1A1L3MBTL1THRBGAA
SCHEMBL10004059 0.86 SMO (0.46) MAPTALDH1A1L3MBTL1THRBGAA
SCHEMBL10003943 0.84 NPBWR1 (0.42) MAPTALDH1A1KMT2ATP53SMN1; SMN2
SCHEMBL10004452 0.83 ADORA1 (0.38) MAPTALDH1A1GAA
SCHEMBL10004363 0.81 NOTUM (0.38) ALDH1A1L3MBTL1PTGS1PTGS2
SCHEMBL10004831 0.80 MAPT (0.50) MAPTALDH1A1THRBGAAALOX15

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 MAPT 4783/4885CCKBR 419/4885ALDH1A1 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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