SCHEMBL30406803

SCHEMBL30406803

FC(F)(F)O[C@H]1CC[C@@H](Nc2ncc3c(-c4ccc5ncncc5c4)c[nH]c3n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 2/20 0.47
▸ CCNK O75909 12/20 0.38
▸ CDK12 Q9NYV4 12/20 0.38
▸ CDK7 P50613 7/20 0.38
▸ CCNH P51946 7/20 0.38
▸ MNAT1 P51948 7/20 0.38
▸ DYRK1A Q13627 2/20 0.36
▸ CLK2 P49760 1/20 0.36
▸ CLK3 P49761 1/20 0.36
▸ CCNT1 O60563 8/20 0.36
▸ CCNE1 P24864 8/20 0.36
▸ CDK2 P24941 8/20 0.36
▸ CDK9 P50750 8/20 0.36
▸ LCK P06239 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ USP2 O75604 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35

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
SCHEMBL25200864 1.00 TDO2 (0.47) TDO2CCNKCDK12CDK7CCNH
SCHEMBL25265742 1.00 TDO2 (0.47) TDO2CCNKCDK12CDK7CCNH
SCHEMBL30347581 0.88 TDO2 (0.49) TDO2DYRK1ACLK2CLK3USP2
SCHEMBL25519995 0.88 TDO2 (0.49) TDO2DYRK1ACLK2CLK3USP2
SCHEMBL30348779 0.88 DYRK1A (0.49) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL25520274 0.88 DYRK1A (0.49) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL30407075 0.87 TDO2 (0.48) TDO2CCNKCDK12CDK7CCNH
SCHEMBL25520358 0.87 TDO2 (0.48) TDO2CCNKCDK12CDK7CCNH
SCHEMBL30348299 0.86 ULK1 (0.40) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL25520279 0.86 ULK1 (0.40) CCNKCDK12CDK7CCNHMNAT1

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-20230167133-A1 7H-PYRROLO[2,3-D]PYRIMIDINES AND PREPARATION AND USES THEREOF VICKERS VENTURE FUND VI PTE. LTD. (SG) 2023-06-01 — — US claimed

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 539/4885CCNK 44/4885CDK12 606/4885

“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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