SCHEMBL23080266

SCHEMBL23080266

CO[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H](O)n1cnc2c(-c3cccc(-n4cccn4)c3)ncnc21

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 1/20 0.33
▸ DNPH1 O43598 8/20 0.33
▸ ERCC1 P07992 1/20 0.33
▸ ERCC4 Q92889 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ TBK1 Q9UHD2 2/20 0.32
▸ IKBKE Q14164 1/20 0.31
▸ METAP2 P50579 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ JAK3 P52333 1/20 0.31
▸ FFAR4 Q5NUL3 1/20 0.31
▸ SYK P43405 1/20 0.31
▸ ATM Q13315 1/20 0.30

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
SCHEMBL20007970 0.84 DNPH1 (0.38) DNPH1
SCHEMBL23080274 0.83 CDK2 (0.38) DNPH1
SCHEMBL23080286 0.77 ADORA2A (0.36) —
SCHEMBL20008037 0.74 ATG7 (0.40) —
SCHEMBL1797413 0.74 DNPH1 (0.58) DNPH1ATM
SCHEMBL20008059 0.73 RET (0.33) —
SCHEMBL20008382 0.72 ADORA2A (0.32) LMNA
SCHEMBL20008103 0.72 ATG7 (0.34) —
SCHEMBL20008410 0.72 ATG7 (0.36) —
SCHEMBL23080278 0.71 ABL1 (0.39) —

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-20210070798-A1 Inhibitors of E1 activating enzymes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-11 — — 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-20210070798-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 KDM5B 1821/4885DNPH1 336/4885ERCC1 1700/4885

“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.

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