SCHEMBL25489342

SCHEMBL25489342

CC(C)(C)NCc1ccc(F)c(C#N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 2/20 0.39
PLA2G7 Q13093 1/20 0.39
VNN1 O95497 1/20 0.38
AR P10275 1/20 0.37
NSD2 O96028 1/20 0.37
ATR Q13535 1/20 0.37
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
MAOA P21397 1/20 0.36
HTR2B P41595 1/20 0.36
TRPV4 Q9HBA0 1/20 0.36
CHRNA7 P36544 1/20 0.36
GRM4 Q14833 1/20 0.35
TRPV3 Q8NET8 1/20 0.35
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
MEN1 O00255 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 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
SCHEMBL25488907 0.83 LOXL2 (0.50) CACNA1HVNN1ARMAOATRPV4
SCHEMBL51841 0.81 TRPV4 (0.41) CACNA1HVNN1ARMAOATRPV4
SCHEMBL13117452 0.79 RIPK1 (0.41) MAOAMEN1PKMKMT2A
SCHEMBL2872194 0.78 CACNA1H (0.39) CACNA1HPLA2G7ARMAOATRPV4
SCHEMBL18810055 0.78 PTGES (0.50) CACNA1HVNN1ARCHRNA7
SCHEMBL29417293 0.78 PTGES (0.50) CACNA1HVNN1ARCHRNA7
SCHEMBL6076327 0.77 TRPV3 (0.38) CACNA1HPLA2G7VNN1ARTRPV4
Hydrochloric Acid SCHEMBL28803208 0.77 MAPT (0.40) CACNA1HVNN1ARMAOATRPV4
SCHEMBL16355198 0.76 MMP13 (0.50) MEN1PKMKMT2A
SCHEMBL8224122 0.75 CYP2A6 (0.47) CACNA1HARMAOATRPV4DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230146675-A1 PYRIMIDO[5,4-d]PYRIMIDINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS iTeos Belgium SA (BE) 2023-05-11 US 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 (1 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-20230146675-A1 PYRIMIDO[5,4-d]PYRIMIDINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS ENTPD5, ENTPD1, SLC29A1 CACNA1H 4067/4885PLA2G7 1603/4885VNN1 696/4885

“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.