SCHEMBL514832

SCHEMBL514832

CC(C)(C)OC(=O)N1CC(Cn2ccc3c(Cl)ncnc32)C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.41
NAMPT P43490 1/20 0.40
BCHE P06276 1/20 0.39
HTR6 P50406 1/20 0.39
POLB P06746 1/20 0.39
TGFBR1 P36897 1/20 0.39
USP7 Q93009 2/20 0.38
JAK1 P23458 1/20 0.38
PIK3CD O00329 3/20 0.38
GPR119 Q8TDV5 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NR1H2 P55055 1/20 0.38
VEGFA P15692 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
ACACB O00763 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
SCHEMBL515778 0.92 TGFBR1 (0.47) BCHEHTR6TGFBR1USP7PIK3CD
SCHEMBL515281 0.92 TGFBR1 (0.47) BCHEHTR6TGFBR1USP7PIK3CD
SCHEMBL17394745 0.90 GPR119 (0.46) POLBTGFBR1USP7GPR119
SCHEMBL23897580 0.83 PIK3CD (0.41) BCHEHTR6TGFBR1USP7PIK3CD
SCHEMBL29950127 0.83 PIK3CD (0.41) BCHEHTR6TGFBR1USP7PIK3CD
SCHEMBL26811380 0.81 GPR119 (0.46) JAK3POLBJAK1PIK3CDGPR119
SCHEMBL23897651 0.81 GPR119 (0.41) PIK3CDGPR119
SCHEMBL31637367 0.79 BRD4 (0.40) JAK3NAMPTTGFBR1MEN1KMT2A
SCHEMBL14806597 0.78 FGFR1 (0.38) MEN1KMT2AACACB
SCHEMBL14806596 0.78 FGFR1 (0.38) MEN1KMT2AACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410089-B2 Fused heterocyclic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-04-02 US disclosed
US-20120028962-A1 FUSED HETEROCYCLIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-02 US disclosed
EP-2399914-A1 FUSED HETEROCYCLIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-12-28 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-20120028962-A1 FUSED HETEROCYCLIC RING COMPOUND GPR119, GPR4, GPR84 JAK3 2033/4885NAMPT 3717/4885BCHE 3566/4885

“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.