SCHEMBL31349720

SCHEMBL31349720

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc(Br)nc1-c1cc(-c2ccc([N+](=O)[O-])cc2)no1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 1/20 0.46
PPARA Q07869 1/20 0.36
POLB P06746 2/20 0.35
RAB9A P51151 6/20 0.35
MAPT P10636 7/20 0.34
ATR Q13535 5/20 0.33
ATM Q13315 4/20 0.33
LMNA P02545 2/20 0.33
GSK3B P49841 1/20 0.33
NPC1 O15118 2/20 0.33
PRKDC P78527 2/20 0.33
GFER P55789 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PDPK1 O15530 1/20 0.32
NR1D1 P20393 1/20 0.32
GAA P10253 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL30275164 1.00 CXCR1 (0.46) CXCR1PPARAPOLBRAB9AMAPT
SCHEMBL30275146 0.91 CXCR1 (0.36) CXCR1PPARA
SCHEMBL30275169 0.91 CXCR1 (0.36) CXCR1PPARA
SCHEMBL30275081 0.88 CXCR1 (0.35) CXCR1MAPTMEN1KMT2A
SCHEMBL31349705 0.88 CXCR1 (0.35) CXCR1MAPTMEN1KMT2A
SCHEMBL506451 0.88 PPARA (0.40) PPARARAB9AMAPTATRATM
SCHEMBL30275172 0.87 PPARA (0.38) CXCR1PPARARAB9AATRATM
SCHEMBL30275196 0.87 PPARA (0.38) CXCR1PPARARAB9AATRATM
SCHEMBL2485704 0.87 RAB9A (0.40) CXCR1PPARARAB9AATRATM
SCHEMBL29243965 0.86 ABCB1 (0.41) CXCR1PPARARAB9AATRATM

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-20250026742-A1 COMPOUND AS ATR KINASE INHIBITOR SUZHOU ARK BIOPHARMACEUTICAL CO., LTD. (CN) 2025-01-23 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-20250026742-A1 COMPOUND AS ATR KINASE INHIBITOR ATR, CHEK2, CHEK1 CXCR1 4272/4885PPARA 4416/4885POLB 604/4885

“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.