SCHEMBL21033243

SCHEMBL21033243

O=C(O)c1cn2c(n1)CC(c1ccccc1)CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.44
HCAR2 Q8TDS4 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
SLC18A3 Q16572 2/20 0.40
SCD5 Q86SK9 2/20 0.39
ADRA1A P35348 2/20 0.38
ADRA1D P25100 1/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
KCNH2 Q12809 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
KDM6B O15054 1/20 0.37
IDO1 P14902 1/20 0.37
HSD11B1 P28845 1/20 0.37
GRIN2B Q13224 1/20 0.37
DRD2 P14416 1/20 0.37

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
SCHEMBL30845757 0.89 SCD (0.43) RIPK1HCAR2SIGMAR1SLC18A3SCD5
SCHEMBL21033480 0.83 RIPK1 (0.46) RIPK1SLC18A3NPC1RAB9ASMN1; SMN2
SCHEMBL3664098 0.79 ADRA1A (0.54) RIPK1HCAR2SCD5ADRA1AADRA1D
Hydrochloric Acid SCHEMBL4090130 0.78 ADRA1A (0.52) RIPK1HCAR2SCD5ADRA1AADRA1D
SCHEMBL19876673 0.77 USP2 (0.40) RIPK1NPC1TP53RAB9ASMN1; SMN2
SCHEMBL20641068 0.74 RIPK1 (0.74) RIPK1HCAR2SIGMAR1SCD5POLB
SCHEMBL21570164 0.73 RIPK1 (0.34) RIPK1SCD5HRH3SCD
SCHEMBL30845851 0.73 PRMT5 (0.52)
SCHEMBL21033347 0.71 RIPK1 (0.38) RIPK1HCAR2ALDH1A1HRH3
SCHEMBL21033514 0.71 PTGS1 (0.36) RIPK1SCD5KCNH2PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210371431-A1 HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS JUBILANT EPISCRIBE LLC 2021-12-02 US disclosed
WO-2019102494-A1 HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS JUBILANT BIOSYS LIMITED (IN) 2019-05-31 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 (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-20210371431-A1 HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS PRMT5, PRMT1, PRMT3 RIPK1 1050/4885HCAR2 3747/4885SIGMAR1 4291/4885

“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.