SCHEMBL16610768

SCHEMBL16610768

COC(=O)c1cc(-n2nc(-c3ccccc3C)c3c(Br)cnc(OC)c32)cs1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 2/20 0.33
KDM4A O75164 1/20 0.33
CSNK2A1 P68400 1/20 0.33
CTSA P10619 2/20 0.32
IGF1R P08069 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPK8 P45983 1/20 0.31

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
SCHEMBL16610751 0.82 POLB (0.35) POLBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL16611406 0.77 EGFR (0.33)
SCHEMBL16611091 0.73 LRRK2 (0.37) POLBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL16611164 0.68 EGFR (0.33)
SCHEMBL16611078 0.66 SCN9A (0.34)
SCHEMBL16611538 0.62 MERTK (0.34) CSNK2A1
SCHEMBL6882573 0.61 SLC6A3 (0.42) POLBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL25352304 0.59 TRPV1 (0.42) POLBKDM4EL3MBTL1
SCHEMBL30535505 0.59 TRPV1 (0.42) POLBKDM4EL3MBTL1
SCHEMBL5841212 0.58 C1S (0.46) POLBALDH1A1KDM4EHSD17B10MAPT

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
US-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 US disclosed
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 US disclosed
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 US disclosed
EP-2857400-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-04-08 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 (2 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-20160251352-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 POLB 3103/4885ALDH1A1 3511/4885KDM4E 456/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 POLB 3103/4885ALDH1A1 3511/4885KDM4E 456/4885

“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.