SCHEMBL30406338

SCHEMBL30406338

c1cc(Nc2ncc3c(-c4cc5cnccc5s4)c[nH]c3n2)ccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 3/20 0.39
▸ CLK1 P49759 1/20 0.39
▸ CLK2 P49760 1/20 0.37
▸ CLK3 P49761 1/20 0.37
▸ CYP2A6 P11509 3/20 0.37
▸ CDK2 P24941 2/20 0.35
▸ CCNT1 O60563 1/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ CDK1 P06493 2/20 0.35
▸ CCNB2 O95067 1/20 0.35
▸ CCNB1 P14635 1/20 0.35
▸ CCNB3 Q8WWL7 1/20 0.35
▸ TGFBR1 P36897 4/20 0.35
▸ MAPK14 Q16539 3/20 0.35
▸ IKBKE Q14164 1/20 0.34
▸ TBK1 Q9UHD2 1/20 0.34
▸ AKT1 P31749 2/20 0.34
▸ PIM1 P11309 2/20 0.34
▸ PLK4 O00444 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
SCHEMBL25198845 1.00 DYRK1A (0.39) DYRK1ACLK1CLK2CLK3CYP2A6
SCHEMBL30348808 0.87 CYP2A6 (0.43) DYRK1ACLK1CYP2A6CDK2CCNT1
SCHEMBL25158074 0.87 CYP2A6 (0.43) DYRK1ACLK1CYP2A6CDK2CCNT1
SCHEMBL30347008 0.84 CYP2A6 (0.41) DYRK1ACLK1CYP2A6CDK2CCNT1
SCHEMBL25158444 0.84 CYP2A6 (0.38) DYRK1ACLK1CYP2A6CDK2CCNT1
SCHEMBL30348957 0.84 CYP2A6 (0.38) DYRK1ACLK1CYP2A6CDK2CCNT1
SCHEMBL25158576 0.84 CYP2A6 (0.41) DYRK1ACLK1CYP2A6CDK2CCNT1
SCHEMBL30347799 0.82 CDK2 (0.46) DYRK1ACLK1CYP2A6CDK2CCNT1
SCHEMBL25212290 0.82 CDK2 (0.46) DYRK1ACLK1CYP2A6CDK2CCNT1
SCHEMBL25158234 0.82 CYP2A6 (0.39) DYRK1ACLK1CYP2A6CDK2CDK1

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 1/4885CLK1 355/4885CLK2 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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