SCHEMBL30148155

SCHEMBL30148155

CC(C)(C)OC(=O)NCCNc1ccnc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.41
BCHE P06276 1/20 0.41
STK17B O94768 1/20 0.41
STK17A Q9UEE5 1/20 0.41
MALT1 Q9UDY8 1/20 0.40
LATS1 O95835 1/20 0.39
CA12 O43570 5/20 0.38
CA1 P00915 5/20 0.38
CA2 P00918 5/20 0.38
CA9 Q16790 5/20 0.38
IDO1 P14902 1/20 0.37
BRD4 O60885 2/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
ACVR1B P36896 1/20 0.36
TGFBR1 P36897 1/20 0.36
ACVRL1 P37023 1/20 0.36
PRMT1 Q99873 1/20 0.36
EGFR P00533 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL14153215 1.00 ATR (0.41) ATRBCHESTK17BSTK17AMALT1
SCHEMBL24041208 0.83 STK17B (0.43) ATRSTK17BSTK17ACA12CA1
SCHEMBL1742856 0.82 MAPT (0.39) TDP1
SCHEMBL1742858 0.82 MAPT (0.39) TDP1
SCHEMBL562919 0.81 ATR (0.44) ATRPRMT1KDM4ETDP1
SCHEMBL17551036 0.81 ATR (0.44) ATRBCHESTK17BSTK17AMALT1
SCHEMBL13285924 0.81 ATR (0.39) ATRPRMT1
SCHEMBL14609884 0.78 KAT2B (0.57) BCHEMALT1BRD4KDM4ETDP1
SCHEMBL13242139 0.78 KAT2B (0.40) EGFR
SCHEMBL20974285 0.77 MALT1 (0.44) BCHEMALT1CA12CA1CA2

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-20230192687-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS CURIS INC (US) 2023-06-22 US disclosed
US-11560377-B2 Fused amino pyridine as HSP90 inhibitors Guris, Inc. (US) 2023-01-24 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-20230192687-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS HSP90B1, HSP90AB1, HSP90AB2P ATR 1854/4885BCHE 4251/4885STK17B 753/4885
US-11560377-B2 Fused amino pyridine as HSP90 inhibitors HSP90B1, HSP90AB1, HSP90AB2P ATR 1854/4885BCHE 4251/4885STK17B 753/4885

“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.