SCHEMBL20477252

SCHEMBL20477252

COC(=O)c1nc(Cc2ccccc2)[nH]c1Br

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RNASEH1 O60930 3/20 0.68
MMP2 P08253 1/20 0.48
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 2/20 0.44
MAPT P10636 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
CYP2C19 P33261 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
HIF1A Q16665 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ERCC1 P07992 1/20 0.42
FEN1 P39748 1/20 0.42
ERCC4 Q92889 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL9277960 0.84 RNASEH1 (0.70) RNASEH1MMP2ALDH1A1CYP1A2MAPT
SCHEMBL13218117 0.74 RNASEH1 (0.77) RNASEH1ERCC1FEN1ERCC4
SCHEMBL23925332 0.74 RNASEH1 (0.50) RNASEH1ALDH1A1CYP1A2MAPTCYP3A4
SCHEMBL11450976 0.73 RNASEH1 (0.55) RNASEH1ALDH1A1CYP1A2MAPTCYP3A4
SCHEMBL7384090 0.73 RNASEH1 (0.66) RNASEH1KMT2AGAA
SCHEMBL1552358 0.72 RNASEH1 (0.54) RNASEH1MMP2ALDH1A1CYP1A2MAPT
SCHEMBL28218387 0.72 RNASEH1 (0.54) RNASEH1
SCHEMBL20028656 0.72 NPSR1 (0.50) RNASEH1MAPTHIF1ANPSR1ERCC1
SCHEMBL20477326 0.71 RNASEH1 (0.53) RNASEH1MMP2ALDH1A1CYP1A2MAPT
SCHEMBL28824358 0.71 RNASEH1 (0.56) RNASEH1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108431004-B Heterocyclic compounds 武田药品工业株式会社 2021-02-12 CN disclosed
US-10787462-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-09-29 US disclosed
EP-3366684-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2020-09-02 EP disclosed
US-20180319819-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-11-08 US disclosed
EP-3366684-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2018-08-29 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-10787462-B2 Heterocyclic compound RIPK1, RIPK4, RIPK3 RNASEH1 1143/4885MMP2 4416/4885ALDH1A1 2773/4885
US-20180319819-A1 HETEROCYCLIC COMPOUND RIPK1, RIPK4, RIPK3 RNASEH1 1143/4885MMP2 4416/4885ALDH1A1 2773/4885

“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.