SCHEMBL24312294

SCHEMBL24312294

CC(C)n1c(=O)c2cc(N(C)C)cnc2n(C)c1=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 2/20 0.40
HSD17B10 Q99714 2/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
RXFP1 Q9HBX9 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ATM Q13315 3/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
KMT2A Q03164 1/20 0.34
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33

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
SCHEMBL22017360 0.74 KDM4E (0.43) HSD17B10HPGDKDM4EALDH1A1ATM
SCHEMBL22016504 0.71 ATM (0.40) ADORA2BRXFP1ATMNPC1
SCHEMBL22017688 0.70 FEN1 (0.65) ADORA2BALDH1A1L3MBTL1
SCHEMBL25407320 0.67 HSD17B10 (0.46) ADORA2BHSD17B10HPGDHTTATM
SCHEMBL25406820 0.63 MAPT (0.42) ADORA2BHSD17B10HPGDHTTRXFP1
SCHEMBL10495854 0.63 HSD17B10 (0.67) ADORA2BHSD17B10HPGDHTTRXFP1
SCHEMBL10958621 0.63 ADORA2B (0.69) ADORA2BRXFP1
SCHEMBL9040192 0.63 RXFP1 (0.47) ADORA2BHSD17B10HPGDHTTRXFP1
SCHEMBL25408350 0.63 ADORA2B (0.47) ADORA2BHSD17B10HPGDHTTATM
SCHEMBL30349777 0.63 ADORA2B (0.47) ADORA2BHSD17B10HPGDHTTATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS GILEAD SCIENCES, INC. 2022-04-21 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 (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-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B ADORA2B 616/4885HSD17B10 3422/4885HPGD 3133/4885

“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.