SCHEMBL25522647

SCHEMBL25522647

C[C@]1(O)CC[C@H](Nc2ncc3c(-c4ccc5nccnc5c4)c[nH]c3n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.41
▸ DYRK1A Q13627 4/20 0.41
▸ CLK2 P49760 1/20 0.41
▸ CLK3 P49761 1/20 0.41
▸ DYRK1B Q9Y463 2/20 0.39
▸ CCNK O75909 3/20 0.37
▸ CCNE1 P24864 3/20 0.37
▸ CDK2 P24941 3/20 0.37
▸ CDK12 Q9NYV4 3/20 0.37
▸ CCNT1 O60563 2/20 0.37
▸ CDK7 P50613 2/20 0.37
▸ CDK9 P50750 2/20 0.37
▸ CCNH P51946 2/20 0.37
▸ MNAT1 P51948 1/20 0.37
▸ RET P07949 3/20 0.36
▸ MAPK8 P45983 1/20 0.36
▸ MAPK9 P45984 1/20 0.36
▸ MAPK10 P53779 1/20 0.36
▸ CDC7 O00311 4/20 0.36
▸ ADORA2A P29274 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
SCHEMBL25523338 1.00 BRD4 (0.41) BRD4DYRK1ACLK2CLK3DYRK1B
SCHEMBL25202299 1.00 BRD4 (0.41) BRD4DYRK1ACLK2CLK3DYRK1B
SCHEMBL30346747 1.00 BRD4 (0.41) BRD4DYRK1ACLK2CLK3DYRK1B
SCHEMBL25520457 1.00 BRD4 (0.41) BRD4DYRK1ACLK2CLK3DYRK1B
SCHEMBL25522638 0.90 DYRK1A (0.42) BRD4DYRK1ACLK2CLK3DYRK1B
SCHEMBL30348582 0.90 DYRK1A (0.42) BRD4DYRK1ACLK2CLK3DYRK1B
SCHEMBL25522637 0.90 DYRK1A (0.42) BRD4DYRK1ACLK2CLK3DYRK1B
SCHEMBL30349099 0.90 BRD4 (0.40) BRD4DYRK1ACLK2CLK3DYRK1B
SCHEMBL25522648 0.90 BRD4 (0.40) BRD4DYRK1ACLK2CLK3DYRK1B
SCHEMBL30346467 0.88 BRD4 (0.41) BRD4DYRK1ACLK2CLK3DYRK1B

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 BRD4 1417/4885DYRK1A 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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