SCHEMBL25519953

SCHEMBL25519953

c1ncc2cc(-c3c[nH]c4nc(CC5CCC5)ncc34)ccc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 3/20 0.51
▸ DYRK1A Q13627 7/20 0.37
▸ CLK2 P49760 1/20 0.37
▸ CLK3 P49761 1/20 0.37
▸ PIK3CD O00329 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ SYK P43405 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ AURKB Q96GD4 1/20 0.36
▸ EGFR P00533 2/20 0.33
▸ CAMKK2 Q96RR4 2/20 0.33
▸ ROCK2 O75116 2/20 0.33
▸ ROCK1 Q13464 2/20 0.33
▸ CDC42BPB Q9Y5S2 2/20 0.33
▸ MAP3K11 Q16584 1/20 0.33
▸ FGFR4 P22455 1/20 0.33
▸ SGK1 O00141 1/20 0.32
▸ AURKA O14965 1/20 0.32
▸ CAMKK1 Q8N5S9 1/20 0.32
▸ SGK3 Q96BR1 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
SCHEMBL25519828 0.86 DYRK1A (0.50) TDO2DYRK1ACLK2CLK3SYK
SCHEMBL26175934 0.86 TDO2 (0.51) TDO2DYRK1ACLK3PIK3CDPIK3CA
SCHEMBL30407715 0.86 DYRK1A (0.50) TDO2DYRK1ACLK2CLK3SYK
SCHEMBL30406771 0.84 DYRK1A (0.38) TDO2DYRK1ACLK2CLK3CAMKK2
SCHEMBL25519884 0.84 DYRK1A (0.38) TDO2DYRK1ACLK2CLK3CAMKK2
SCHEMBL30406148 0.82 TDO2 (0.54) TDO2DYRK1ACLK2CLK3PIK3CD
SCHEMBL25519952 0.82 TDO2 (0.54) TDO2DYRK1ACLK2CLK3PIK3CD
SCHEMBL25157589 0.81 TDO2 (0.48) TDO2DYRK1ACLK2CLK3PIK3CD
SCHEMBL25519946 0.80 TDO2 (0.54) TDO2DYRK1ACLK2CLK3PIK3CD
SCHEMBL25519950 0.80 TDO2 (0.56) TDO2DYRK1ACLK2CLK3PIK3CD

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 539/4885DYRK1A 1/4885CLK2 466/4885

“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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