SCHEMBL23986983

SCHEMBL23986983

Cc1cnc(C(C)C)[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
ATAD2 Q6PL18 2/20 0.34
GCK P35557 2/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
CAPN1 P07384 1/20 0.33
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
GSK3B P49841 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
CNR1 P21554 1/20 0.31
DAO P14920 2/20 0.31
KDM4E B2RXH2 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL23987160 0.81 CHEK1 (0.35) GCKCAPN1HCAR2GSK3BKDM5B
SCHEMBL24420568 0.78 CAPN1 (0.32) ALDH1A1MAPTCAPN1GSK3BKDM5B
SCHEMBL23987122 0.76 HCAR2 (0.37) ALDH1A1GCKCAPN1GRIN2DGRIN3B
SCHEMBL14872931 0.75 KDM5B (0.32) CAPN1KDM5B
SCHEMBL13295349 0.73 KDM6B (0.56) KDM5BKDM4E
SCHEMBL8404476 0.73
SCHEMBL3268601 0.73
SCHEMBL23987019 0.71 ALDH1A1 (0.55) ALDH1A1ATAD2MAPTRAB9AGRIN2D
SCHEMBL2898616 0.70 GAA (0.56) ALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL23900679 0.70 KDM4E (0.46) ALDH1A1MAPTKDM5BKDM4EL3MBTL1

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-20230365537-A1 POLO LIKE KINASE 4 INHIBITORS ORIC PHARMACEUTICALS, INC. 2023-11-16 US disclosed
WO-2021218755-A1 SHP2 INHIBITOR, AND COMPOSITION AND USE THEREOF 贝达药业股份有限公司 (CN) 2021-11-04 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-20230365537-A1 POLO LIKE KINASE 4 INHIBITORS PLK4, PLK2, PLK3 ALDH1A1 2211/4885ATAD2 2076/4885GCK 400/4885

“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.