SCHEMBL20477232

SCHEMBL20477232

CCO/C=C/c1c(C(=O)OC)nc(Cc2ccccc2)n1C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RNASEH1 O60930 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
PLA2G2A P14555 3/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC1 Q13547 1/20 0.35
PKM P14618 1/20 0.34
DRD2 P14416 1/20 0.34
TBXA2R P21731 1/20 0.34
TSHR P16473 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL20477235 1.00 RNASEH1 (0.41) RNASEH1L3MBTL1CYP1A2SMN1; SMN2RXFP1
SCHEMBL20477331 0.82 ADCY10 (0.38) RNASEH1L3MBTL1RXFP1NPSR1PLA2G2A
SCHEMBL20477334 0.82 ADCY10 (0.38) RNASEH1L3MBTL1RXFP1NPSR1PLA2G2A
SCHEMBL20477383 0.82 CDC25A (0.42) NPSR1PLA2G2ADRD2TBXA2RCNR2
SCHEMBL20477386 0.82 CDC25A (0.42) NPSR1PLA2G2ADRD2TBXA2RCNR2
SCHEMBL9280321 0.77 RNASEH1 (0.48) RNASEH1L3MBTL1CYP1A2SMN1; SMN2RXFP1
SCHEMBL20477374 0.76 RNASEH1 (0.47) RNASEH1L3MBTL1CYP1A2SMN1; SMN2RXFP1
SCHEMBL20477364 0.74 RNASEH1 (0.44) RNASEH1L3MBTL1CYP1A2SMN1; SMN2RXFP1
SCHEMBL22079307 0.74 RNASEH1 (0.57) RNASEH1L3MBTL1CYP1A2SMN1; SMN2RXFP1
SCHEMBL28529853 0.73 PDE5A (0.44) L3MBTL1SMN1; SMN2NPSR1TBXA2RCNR2

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 1143/4885L3MBTL1 1421/4885CYP1A2 3702/4885
US-20180319819-A1 HETEROCYCLIC COMPOUND RIPK1, RIPK4, RIPK3 RNASEH1 1143/4885L3MBTL1 1421/4885CYP1A2 3702/4885

“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.