SCHEMBL24650993

SCHEMBL24650993

Cc1ncc(C(=O)C(C)(C)C)s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.62
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
KDM4E B2RXH2 2/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.47
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
GAA P10253 3/20 0.33
USP9X Q93008 1/20 0.33
RAB9A P51151 1/20 0.33
CLK2 P49760 2/20 0.32
CLK3 P49761 2/20 0.32
DYRK1A Q13627 2/20 0.32
FPR2 P25090 1/20 0.32
GRM5 P41594 1/20 0.32
GSK3B P49841 1/20 0.32
GFER P55789 1/20 0.32
MAPT P10636 1/20 0.31
HDAC4 P56524 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
SCHEMBL13154023 0.82 HCAR2 (0.60) HCAR2ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL17773175 0.80 ALDH1A1 (0.51) HCAR2ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL27858708 0.79 HCAR2 (0.72) HCAR2ALDH1A1SMN1; SMN2GAARAB9A
SCHEMBL23224219 0.78 SMN1; SMN2 (0.50) HCAR2ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL4781387 0.77
SCHEMBL186167 0.77
SCHEMBL2552716 0.76 HCAR2 (0.56) HCAR2ALDH1A1CDC7DBF4
SCHEMBL328096 0.75
SCHEMBL1435803 0.75
Hydrochloric Acid SCHEMBL9653796 0.75 HCAR2 (0.96) HCAR2ALDH1A1SMN1; SMN2KDM4EGAA

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-11731967-B2 Inhibitors of TRIM33 and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-08-22 US disclosed
US-11466013-B2 ERK inhibitor and use thereof BETTA PHARMACEUTICALS CO., LTD (CN) 2022-10-11 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 (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-11731967-B2 Inhibitors of TRIM33 and methods of use TRIM33, TRIM28, TRIM4 HCAR2 4029/4885ALDH1A1 3246/4885SMN1; SMN2 639/4885
US-11466013-B2 ERK inhibitor and use thereof MAPK1, MAPK4, MAPK7 HCAR2 3981/4885ALDH1A1 1793/4885SMN1; SMN2 4016/4885

“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.