SCHEMBL21893785

SCHEMBL21893785

CC(C)c1nn(C)c2cnccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 5/20 0.41
NFATC1 O95644 3/20 0.41
GSK3B P49841 3/20 0.41
KCNH2 Q12809 1/20 0.38
NAMPT P43490 2/20 0.36
KAT2B Q92831 2/20 0.35
ADORA3 P0DMS8 2/20 0.35
ADORA1 P30542 1/20 0.35
ADORA2A P29274 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
ROCK2 O75116 1/20 0.33
MAPK8 P45983 1/20 0.33
HDAC8 Q9BY41 1/20 0.32
PDPK1 O15530 1/20 0.32
TGFBR1 P36897 1/20 0.32
IKBKE Q14164 1/20 0.32
TBK1 Q9UHD2 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL15341873 0.86 NAMPT (0.37) DYRK1ANFATC1GSK3BNAMPTKAT2B
SCHEMBL2738313 0.76 KDM4E (0.49) KCNH2ADORA3ADORA1ADORA2AHTR2A
SCHEMBL4008575 0.76 ADORA2A (0.50) DYRK1ANFATC1GSK3BKCNH2NAMPT
SCHEMBL659962 0.74 DYRK1A (0.42) DYRK1ANFATC1GSK3BKCNH2NAMPT
SCHEMBL21894106 0.74 GSK3B (0.42) DYRK1ANFATC1GSK3BNAMPTKAT2B
SCHEMBL23145661 0.74 DYRK1A (0.42) DYRK1ANFATC1GSK3BKCNH2NAMPT
SCHEMBL30771584 0.72 HTR2A (0.39) DYRK1ANFATC1GSK3BKCNH2NAMPT
SCHEMBL21893439 0.71 DYRK1A (0.40) DYRK1ANFATC1GSK3BKCNH2NAMPT
SCHEMBL11916066 0.71 DYRK1A (0.40) DYRK1ANFATC1GSK3BKCNH2NAMPT
SCHEMBL18999667 0.71 ADORA2A (0.37) ADORA3ADORA1ADORA2AMAPK8HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250088-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-10 US disclosed
US-20230250060-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-10 US disclosed
US-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 US disclosed
WO-2020065613-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 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 (3 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-20220332713-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP DYRK1A 2576/4885NFATC1 4595/4885GSK3B 948/4885
US-20230250060-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 DYRK1A 4056/4885NFATC1 16/4885GSK3B 487/4885
US-20230250088-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 DYRK1A 4079/4885NFATC1 16/4885GSK3B 471/4885

“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.