SCHEMBL10004261

SCHEMBL10004261

CCOC(=O)c1c(OCC(F)(F)F)c2c(=O)n(-c3ccc(F)cc3)c(CC)cc2n1C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HKDC1 Q2TB90 1/20 0.38
▸ GABRA2 P47869 1/20 0.37
▸ GABRB2 P47870 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ GAA P10253 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ POLB P06746 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ CHRNA7 P36544 2/20 0.35
▸ THRB P10828 1/20 0.35
▸ MAPK1 P28482 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
SCHEMBL10003740 0.93 SMO (0.45) SMOSMN1; SMN2ALDH1A1GAAMAPT
SCHEMBL10004932 0.93 SMO (0.50) SMOSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL10004847 0.92 SMO (0.45) SMOSMN1; SMN2GABRA2GABRB2MEN1
SCHEMBL10003808 0.91 GABRA2 (0.40) SMN1; SMN2HKDC1GABRA2GABRB2MEN1
SCHEMBL10004059 0.90 SMO (0.46) SMOSMN1; SMN2ALDH1A1GAAMAPT
SCHEMBL10003908 0.90 SMO (0.47) SMOSMN1; SMN2HKDC1MEN1KMT2A
SCHEMBL10003872 0.88 SMO (0.40) SMOSMN1; SMN2ALDH1A1GAAMAPT
SCHEMBL10004152 0.86 SMO (0.47) SMOSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL10004293 0.86 GABRA2 (0.39) SMN1; SMN2HKDC1GABRA2GABRB2MEN1
SCHEMBL10004269 0.85 SMO (0.40) SMOSMN1; SMN2MEN1KMT2AALDH1A1

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 1/4885SMN1; SMN2 3164/4885HKDC1 2807/4885

“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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