SCHEMBL24758142

SCHEMBL24758142

CC(=O)c1cc(C#N)[nH]n1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 10/20 0.37
DAO P14920 1/20 0.37
AR P10275 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HCAR3 P49019 2/20 0.34
MAPK1 P28482 1/20 0.34
LCK P06239 1/20 0.32
RET P07949 1/20 0.32
SRC P12931 1/20 0.32
CYTH3 O43739 1/20 0.31
BTK Q06187 1/20 0.31
EPN1 Q9Y6I3 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
SCHEMBL10340622 0.82 HCAR2 (0.52) HCAR2DAOHCAR3CYTH3BTK
SCHEMBL8058650 0.80 MAPK8 (0.39) HCAR2DAOSMN1; SMN2KDM4EMAPK1
SCHEMBL24117299 0.76 MAPK1 (0.39) HCAR2KDM4EHCAR3MAPK1
SCHEMBL12011328 0.71 MAPK1 (0.52) HCAR2DAOKDM4EHCAR3MAPK1
SCHEMBL4035315 0.71
SCHEMBL2629428 0.71
SCHEMBL6212668 0.69
SCHEMBL12270026 0.69
SCHEMBL1815487 0.68 MAPK1 (0.48) HCAR2DAOHCAR3MAPK1
SCHEMBL27864493 0.68 HCAR2 (0.53) HCAR2DAOHCAR3

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
US-11999699-B2 Substituted pyrazole amides Grünenthal GmbH (DE) 2024-06-04 US disclosed
WO-2023215801-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-11-09 WO disclosed
US-20230025025-A1 SUBSTITUTED PYRAZOLE AMIDES GRUENENTHAL GMBH (DE) 2023-01-26 US disclosed
US-20230025025-A1 SUBSTITUTED PYRAZOLE AMIDES GRUENENTHAL GMBH (DE) 2023-01-26 US disclosed
WO-2022263498-A1 SUBSTITUTED PYRAZOLE AMIDES Grünenthal GmbH (DE) 2022-12-22 WO 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-11999699-B2 Substituted pyrazole amides SCN8A, SCN1A, SCN7A HCAR2 565/4885DAO 3599/4885AR 3341/4885
US-20230025025-A1 SUBSTITUTED PYRAZOLE AMIDES SCN8A, SCN1A, SCN7A HCAR2 565/4885DAO 3599/4885AR 3341/4885

“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.