SCHEMBL20477331

SCHEMBL20477331

CCO/C=C/c1nc(Cc2ccccc2)n(C)c1C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADCY10 Q96PN6 1/20 0.38
RXFP1 Q9HBX9 1/20 0.36
RNASEH1 O60930 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPK8 P45983 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PLA2G2A P14555 3/20 0.35
HDAC6 Q9UBN7 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 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
MAPK9 P45984 1/20 0.34
MAPK10 P53779 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
SCHEMBL20477334 1.00 ADCY10 (0.38) ADCY10RXFP1RNASEH1L3MBTL1MAPK8
SCHEMBL20477232 0.82 RNASEH1 (0.41) RXFP1RNASEH1L3MBTL1NPSR1PLA2G2A
SCHEMBL20477235 0.82 RNASEH1 (0.41) RXFP1RNASEH1L3MBTL1NPSR1PLA2G2A
SCHEMBL9280321 0.77 RNASEH1 (0.48) ADCY10RXFP1RNASEH1L3MBTL1PLA2G2A
SCHEMBL20477354 0.76 ADCY10 (0.43) ADCY10RXFP1RNASEH1MAPK8PLA2G2A
SCHEMBL20477383 0.70 CDC25A (0.42) NPSR1PLA2G2ADRD2TBXA2R
SCHEMBL25310115 0.69 AADAT (0.35) L3MBTL1
SCHEMBL25310112 0.69 AADAT (0.35) L3MBTL1
SCHEMBL25883500 0.69 SMN1; SMN2 (0.44) L3MBTL1NPSR1NPC1RAB9APKM
SCHEMBL20477374 0.69 RNASEH1 (0.47) RXFP1RNASEH1L3MBTL1PLA2G2AHDAC6

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 ADCY10 367/4885RXFP1 1437/4885RNASEH1 1143/4885
US-20180319819-A1 HETEROCYCLIC COMPOUND RIPK1, RIPK4, RIPK3 ADCY10 367/4885RXFP1 1437/4885RNASEH1 1143/4885

“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.