SCHEMBL26564672

SCHEMBL26564672

CC(C)(C)C(=O)c1cc2ccncc2s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.65
AURKA O14965 1/20 0.65
DAPK3 O43293 1/20 0.65
PRKD3 O94806 1/20 0.65
MAP4K4 O95819 1/20 0.65
PAK4 O96013 1/20 0.65
ABL1 P00519 1/20 0.65
RET P07949 1/20 0.65
PIM1 P11309 1/20 0.65
FGFR1 P11362 1/20 0.65
PRKACA P17612 1/20 0.65
FLT1 P17948 1/20 0.65
LTK P29376 1/20 0.65
GRK5 P34947 1/20 0.65
KDR P35968 1/20 0.65
MAPK8 P45983 1/20 0.65
CSNK1A1 P48729 1/20 0.65
CDK8 P49336 1/20 0.65
CLK2 P49760 1/20 0.65
GSK3A P49840 1/20 0.65

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
SCHEMBL21470630 0.88 DYRK1A (0.49) CHEK1AURKADAPK3PRKD3MAP4K4
SCHEMBL13977223 0.82 DYRK1A (0.71) CHEK1AURKADAPK3PRKD3MAP4K4
SCHEMBL162420 0.81 CDK8 (0.65) CHEK1AURKADAPK3PRKD3MAP4K4
SCHEMBL30980399 0.81 CDK8 (0.65) CHEK1AURKADAPK3PRKD3MAP4K4
SCHEMBL30514630 0.80 AURKA (0.73) CHEK1AURKADAPK3PRKD3MAP4K4
SCHEMBL844094 0.80 AURKA (0.73) CHEK1AURKADAPK3PRKD3MAP4K4
SCHEMBL29944203 0.79 PIM1 (1.00) CHEK1AURKADAPK3PRKD3MAP4K4
SCHEMBL30568740 0.79 CHEK1 (0.71) CHEK1AURKADAPK3PRKD3MAP4K4
SCHEMBL5951059 0.79 CHEK1 (0.71) CHEK1AURKADAPK3PRKD3MAP4K4
SCHEMBL9230695 0.79 PIM1 (1.00) CHEK1AURKADAPK3PRKD3MAP4K4

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-20240016953-A1 TARGETED DELIVERY OF NICOTINAMINDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITORS SEAGEN INC (US) 2024-01-18 US disclosed
US-20240016953-A1 TARGETED DELIVERY OF NICOTINAMINDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITORS SEAGEN INC (US) 2024-01-18 US disclosed
US-11638762-B2 Targeted delivery of nicotinamide adenine dinucleotide salvage pathway inhibitors SEAGEN INC. (US) 2023-05-02 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-20240016953-A1 TARGETED DELIVERY OF NICOTINAMINDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITORS NAMPT, NAPRT, NNMT CHEK1 3548/4885AURKA 2732/4885DAPK3 958/4885
US-11638762-B2 Targeted delivery of nicotinamide adenine dinucleotide salvage pathway inhibitors NAMPT, NME4, NNMT CHEK1 3248/4885AURKA 3242/4885DAPK3 672/4885

“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.