SCHEMBL10004932

SCHEMBL10004932

CCOC(=O)c1c(OCC(F)(F)F)c2c(=O)n(-c3ccccc3)c(CC)cc2n1C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 1/20 0.50
▸ ALDH1A1 P00352 4/20 0.45
▸ MAPT P10636 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ RECQL P46063 1/20 0.40
▸ MAT2A P31153 1/20 0.40
▸ KDM4E B2RXH2 4/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ SIRT2 Q8IXJ6 1/20 0.37
▸ SIRT1 Q96EB6 1/20 0.37

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
SCHEMBL10004261 0.93 SMO (0.45) SMOALDH1A1MAPTGAAKDM4E
SCHEMBL10003740 0.93 SMO (0.45) SMOALDH1A1MAPTGAAKDM4E
SCHEMBL10004059 0.92 SMO (0.46) SMOALDH1A1MAPTGAAKDM4E
SCHEMBL10004847 0.92 SMO (0.45) SMOALDH1A1MAPTKDM4EMEN1
SCHEMBL10004618 0.90 SMO (0.51) SMOALDH1A1MAPTGAA
SCHEMBL10004831 0.90 MAPT (0.50) SMOALDH1A1MAPTGAARECQL
SCHEMBL10004152 0.88 SMO (0.47) SMOALDH1A1MAPTKDM4EMEN1
SCHEMBL10003872 0.87 SMO (0.40) SMOALDH1A1MAPTGAAKDM4E
SCHEMBL1061982 0.87 SMO (0.65) SMOALDH1A1MAPTGAAMEN1
SCHEMBL1063936 0.86 SMO (0.52) SMOALDH1A1MAPTGAAKDM4E

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 1/4885ALDH1A1 321/4885MAPT 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.

Send feedback