SCHEMBL21401433

SCHEMBL21401433

CC(C)NC(=O)c1cnc(C(C)C)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 3/20 0.43
HPGD P15428 1/20 0.43
OGA O60502 1/20 0.39
ALOX15 P16050 2/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
C3AR1 Q16581 1/20 0.38
MAPK14 Q16539 3/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
DYRK3 O43781 1/20 0.37
PRKCG P05129 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
SCHEMBL25737787 0.84 MAPK14 (0.40) TP53ALDH1A1MAPK1HPGDOGA
SCHEMBL12455912 0.81 TP53 (0.44) TP53ALDH1A1MAPK1HPGDOGA
SCHEMBL11648917 0.81 ALDH1A1 (0.44) TP53ALDH1A1MAPK1HPGDOGA
SCHEMBL12272012 0.81 FFAR2 (0.45) ALDH1A1MAPK1HPGDTSHRCASP1
SCHEMBL279947 0.80 FFAR2 (0.42) TP53ALDH1A1MAPK1OGAL3MBTL1
SCHEMBL27809784 0.80 HCAR2 (0.39) TP53ALDH1A1MAPK1ALOX15L3MBTL1
SCHEMBL286127 0.79 TP53 (0.46) TP53ALDH1A1MAPK1HPGDOGA
SCHEMBL7259530 0.79 TP53 (0.43) TP53ALDH1A1MAPK1HPGDOGA
SCHEMBL1421575 0.78 HCAR2 (0.57) ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL26703523 0.78 ALDH1A1 (0.40) ALDH1A1L3MBTL1SMN1; SMN2RAB9ASLC8A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348456-A1 QUINAZOLINONES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME REPARE THERAPEUTICS INC. (CA) 2023-11-02 US disclosed
US-20230348456-A1 QUINAZOLINONES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME REPARE THERAPEUTICS INC. (CA) 2023-11-02 US disclosed
WO-2019183523-A1 HETERO-BIFUNCTIONAL DEGRADER COMPOUNDS AND THEIR USE AS MODULATORS OF TARGETED UBIQUINATION (VHL) GENENTECH, INC. (US) 2019-09-26 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-20230348456-A1 QUINAZOLINONES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME CSNK1A1, CSNK1G1, CSNK1G3 TP53 674/4885ALDH1A1 3276/4885MAPK1 366/4885

“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.