SCHEMBL25196886

SCHEMBL25196886

CN1CCN(c2ccc(CNc3ncc4c(-c5ccn6nccc6c5)c[nH]c4n3)cn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 4/20 0.48
CLK2 P49760 1/20 0.48
CLK3 P49761 1/20 0.48
CLK1 P49759 3/20 0.43
IL2 P60568 1/20 0.42
MAP4K1 Q92918 1/20 0.42
BRD4 O60885 2/20 0.41
TDO2 P48775 1/20 0.40
HDAC1 Q13547 1/20 0.39
CDK2 P24941 2/20 0.38
WNT3A P56704 1/20 0.38
TNIK Q9UKE5 5/20 0.36
HRH4 Q9H3N8 3/20 0.36
HRH2 P25021 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
HRH1 P35367 1/20 0.36
MAP3K11 Q16584 2/20 0.35
CYP3A4 P08684 2/20 0.35
SGK1 O00141 1/20 0.35
IKBKB O14920 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
SCHEMBL30346666 1.00 DYRK1A (0.48) DYRK1ACLK2CLK3CLK1IL2
SCHEMBL25157935 0.87 DYRK1A (0.44) DYRK1ACLK2CLK3CLK1IL2
SCHEMBL30348356 0.87 DYRK1A (0.44) DYRK1ACLK2CLK3CLK1IL2
SCHEMBL30347663 0.87 DYRK1A (0.57) DYRK1ACLK2CLK3CLK1IL2
SCHEMBL25157651 0.87 DYRK1A (0.57) DYRK1ACLK2CLK3CLK1IL2
SCHEMBL25158825 0.85 DYRK1A (0.41) DYRK1ACLK2CLK3CLK1IL2
SCHEMBL30347269 0.85 DYRK1A (0.41) DYRK1ACLK2CLK3CLK1IL2
SCHEMBL30347427 0.84 DYRK1A (0.42) DYRK1ACLK2CLK3CLK1IL2
SCHEMBL25195423 0.83 DYRK1A (0.56) DYRK1ACLK2CLK3CLK1IL2
SCHEMBL30348432 0.83 DYRK1A (0.56) DYRK1ACLK2CLK3CLK1IL2

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 DYRK1A 1/4885CLK2 466/4885CLK3 1147/4885

“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.