SCHEMBL25914866

SCHEMBL25914866

COc1cc2c(=O)n(CCN(C)C)c3c4cc5c(cc4c(OC)cc3c2cc1OC)OCO5

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 14/20 0.79
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
TYK2 P29597 1/20 0.47
JAK3 P52333 1/20 0.47
TOP1 P11387 1/20 0.46
TDP2 O95551 1/20 0.42
CYP19A1 P11511 1/20 0.40
NQO2 P16083 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
USP2 O75604 1/20 0.40

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
SCHEMBL30483855 0.88 TDP1 (0.96) TDP1JAK2JAK1TYK2JAK3
SCHEMBL21630105 0.88 TDP1 (0.96) TDP1JAK2JAK1TYK2JAK3
SCHEMBL25914847 0.88 TDP1 (1.00) TDP1JAK2JAK1TYK2JAK3
SCHEMBL30990831 0.88 TDP1 (0.96) TDP1JAK2JAK1TYK2JAK3
SCHEMBL29360706 0.87 TDP1 (0.69) TDP1JAK2JAK1TYK2JAK3
SCHEMBL241242 0.87 TDP1 (0.69) TDP1JAK2JAK1TYK2JAK3
SCHEMBL30832618 0.83 TDP1 (0.65) TDP1JAK2JAK1TYK2JAK3
SCHEMBL27165257 0.83 TDP1 (0.65) TDP1JAK2JAK1TYK2JAK3
SCHEMBL21630134 0.82 TDP1 (0.85) TDP1JAK2JAK1TYK2JAK3
SCHEMBL30990830 0.82 TDP1 (0.85) TDP1JAK2JAK1TYK2JAK3

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-20230219895-A1 OXYNITIDINE DERIVATIVES USEFUL AS INHIBITORS OF TOPOISOMERASE IB (TOP1) AND TYROSYL-DNA PHOSPHODIESTERASE 1 (TDP1) SHENZHEN XUHUA BIOTECH CO. LTD. (CN) 2023-07-13 US disclosed
US-20230219895-A1 OXYNITIDINE DERIVATIVES USEFUL AS INHIBITORS OF TOPOISOMERASE IB (TOP1) AND TYROSYL-DNA PHOSPHODIESTERASE 1 (TDP1) SHENZHEN XUHUA BIOTECH CO. LTD. (CN) 2023-07-13 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-20230219895-A1 OXYNITIDINE DERIVATIVES USEFUL AS INHIBITORS OF TOPOISOMERASE IB (TOP1) AND TYROSYL-DNA PHOSPHODIESTERASE 1 (TDP1) TDP1, TOP1, TOP2A TDP1 1/4885JAK2 3608/4885JAK1 907/4885

“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.