SCHEMBL10004152

SCHEMBL10004152

CCOC(=O)c1c(OCC(F)(F)F)c2c(=O)n(-c3c(F)cccc3F)c(CC)cc2n1C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 1/20 0.47
▸ POLB P06746 2/20 0.37
▸ PKM P14618 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ TRPA1 O75762 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ PABPC1 P11940 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ THRB P10828 1/20 0.33

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
SCHEMBL10003906 0.90 SMO (0.48) SMONPC1RAB9ASMN1; SMN2TRPA1
SCHEMBL10004932 0.88 SMO (0.50) SMOSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL10004059 0.88 SMO (0.46) SMOPOLBSMN1; SMN2KDM4EJAK2
SCHEMBL10004261 0.86 SMO (0.45) SMOPOLBSMN1; SMN2KDM4EMEN1
SCHEMBL10003740 0.84 SMO (0.45) SMONPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL10003685 0.84 ALDH1A1 (0.40) POLBPKMNPC1RAB9ASMN1; SMN2
SCHEMBL10004847 0.84 SMO (0.45) SMOPKMSMN1; SMN2KDM4EMEN1
SCHEMBL1061982 0.83 SMO (0.65) SMOPOLBLMNANPC1RAB9A
SCHEMBL1063936 0.82 SMO (0.52) SMOPOLBPKMLMNAKDM4E
SCHEMBL1062367 0.81 SMO (0.51) SMONPC1RAB9ASMN1; SMN2ALDH1A1

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 1/4885POLB 4723/4885PKM 4060/4885

“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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