SCHEMBL31046830

SCHEMBL31046830

CC(C)c1nccnc1C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.36
TSHR P16473 1/20 0.36
MC4R P32245 1/20 0.36
ADRA1A P35348 1/20 0.36
MC3R P41968 1/20 0.36
ADORA2A P29274 3/20 0.35
ADORA1 P30542 2/20 0.35
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
RPS6KB1 P23443 1/20 0.34
CDC7 O00311 1/20 0.32
SYK P43405 2/20 0.31
KCNH2 Q12809 2/20 0.31
ATR Q13535 1/20 0.31
PRKCI P41743 1/20 0.30
MEN1 O00255 1/20 0.30
PABPC1 P11940 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL28119175 1.00 ADORA3 (0.36) ADORA3TSHRMC4RADRA1AMC3R
Trifluoroacetic Acid SCHEMBL28182510 0.89 L3MBTL1 (0.38) ADORA3TSHRMC4RADRA1AMC3R
Trifluoroacetic Acid SCHEMBL30045250 0.89 L3MBTL1 (0.38) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL733048 0.86 ADORA3 (0.35) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL12548240 0.81 KDM4E (0.41) TSHRLMNAALDH1A1KMT2A
SCHEMBL15145687 0.79 ADORA3 (0.36) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL3917303 0.78 ADORA3 (0.31) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL13544700 0.78 ADORA3 (0.41) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL2492969 0.77 TSHR (0.48) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL24993518 0.76 NPSR1 (0.45) TSHRLMNAALDH1A1

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-20240262795-A1 PYRAZINE COMPOUNDS AS INHIBITORS OF FLT3 BIOMEA FUSION, INC. 2024-08-08 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-20240262795-A1 PYRAZINE COMPOUNDS AS INHIBITORS OF FLT3 FLT3, MCL1, CSF3R ADORA3 3539/4885TSHR 2437/4885MC4R 4516/4885

“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.