SCHEMBL25519950

SCHEMBL25519950

c1ncc2cc(-c3c[nH]c4nc(C5CC5)ncc34)ccc2n1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 4/20 0.56
▸ PIK3CD O00329 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ DYRK1A Q13627 4/20 0.37
▸ CLK2 P49760 1/20 0.37
▸ CLK3 P49761 1/20 0.37
▸ EGFR P00533 4/20 0.36
▸ MAP3K11 Q16584 2/20 0.36
▸ FGFR4 P22455 1/20 0.36
▸ RPS6KA5 O75582 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ CAMKK2 Q96RR4 1/20 0.34
▸ LATS1 O95835 1/20 0.34

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
SCHEMBL30406148 0.96 TDO2 (0.54) TDO2PIK3CDPIK3CADYRK1ACLK2
SCHEMBL25519952 0.96 TDO2 (0.54) TDO2PIK3CDPIK3CADYRK1ACLK2
SCHEMBL25156923 0.84 TDO2 (0.67) TDO2PIK3CDPIK3CADYRK1AEGFR
SCHEMBL30349188 0.84 TDO2 (0.67) TDO2PIK3CDPIK3CADYRK1AEGFR
SCHEMBL30407682 0.84 DYRK1A (0.52) TDO2DYRK1ACLK2CLK3BRD4
SCHEMBL25519826 0.84 DYRK1A (0.52) TDO2DYRK1ACLK2CLK3BRD4
SCHEMBL26175809 0.84 TDO2 (0.56) TDO2PIK3CDPIK3CADYRK1ACLK3
SCHEMBL30406336 0.82 PIM1 (0.40) TDO2DYRK1ACLK2CLK3MAP3K11
SCHEMBL25158399 0.82 PIM1 (0.40) TDO2DYRK1ACLK2CLK3MAP3K11
SCHEMBL25158462 0.81 TDO2 (0.60) TDO2PIK3CDPIK3CADYRK1ACLK2

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-20230167133-A1 7H-PYRROLO[2,3-D]PYRIMIDINES AND PREPARATION AND USES THEREOF VICKERS VENTURE FUND VI PTE. LTD. (SG) 2023-06-01 — — US disclosed
US-20230167133-A1 7H-PYRROLO[2,3-D]PYRIMIDINES AND PREPARATION AND USES THEREOF VICKERS VENTURE FUND VI PTE. LTD. (SG) 2023-06-01 — — 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-20230167133-A1 7H-PYRROLO[2,3-D]PYRIMIDINES AND PREPARATION AND USES THEREOF DYRK1A, DYRK1B, DYRK2 TDO2 539/4885PIK3CD 1356/4885PIK3CA 401/4885

“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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