SCHEMBL24288577

SCHEMBL24288577

CCNc1cc(Nc2ccc(C(=O)N3CCC(N4CCOCC4)C3)cc2OC)nc2[nH]cc(C(F)(F)F)c12

nearest known ligand 0.92

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 13/20 0.92
▸ DYRK3 O43781 1/20 0.92
▸ CSNK1E P49674 1/20 0.92
▸ CLK1 P49759 1/20 0.92
▸ CLK2 P49760 1/20 0.92
▸ CLK3 P49761 1/20 0.92
▸ CLK4 Q9HAZ1 1/20 0.92
▸ DYRK1B Q9Y463 1/20 0.92
▸ LRRK2 Q5S007 7/20 0.55
▸ TTK P33981 1/20 0.47

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
SCHEMBL21611050 0.96 DYRK1A (1.00) DYRK1ADYRK3CSNK1ECLK1CLK2
SCHEMBL29492971 0.96 DYRK1A (1.00) DYRK1ADYRK3CSNK1ECLK1CLK2
SCHEMBL29492986 0.92 DYRK1A (0.89) DYRK1ADYRK3CSNK1ECLK1CLK2
SCHEMBL21611048 0.92 DYRK1A (0.89) DYRK1ADYRK3CSNK1ECLK1CLK2
SCHEMBL21638098 0.89 DYRK1A (0.87) DYRK1ADYRK3CSNK1ECLK1CLK2
SCHEMBL21661935 0.89 DYRK1A (0.87) DYRK1ADYRK3CSNK1ECLK1CLK2
SCHEMBL21611089 0.89 DYRK1A (1.00) DYRK1ADYRK3CSNK1ECLK1CLK2
SCHEMBL29492984 0.88 DYRK1A (0.89) DYRK1ADYRK3CSNK1ECLK1CLK2
SCHEMBL21611079 0.88 DYRK1A (0.89) DYRK1ADYRK3CSNK1ECLK1CLK2
SCHEMBL21611072 0.88 DYRK1A (0.86) DYRK1ADYRK3CSNK1ECLK1CLK2

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-20220064161-A1 PYRROLOPYRIDINE DERIVATIVE AND USE THEREOF IN PREVENTION AND TREATMENT OF PROTEIN KINASE-RELATED DISEASE VORONOI, INC. (KR) 2022-03-03 — — 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-20220064161-A1 PYRROLOPYRIDINE DERIVATIVE AND USE THEREOF IN PREVENTION AND TREATMENT OF PROTEIN KINASE-RELATED DISEASE CLK1, CLK2, CLK3 DYRK1A 7/4885DYRK3 11/4885CSNK1E 105/4885

“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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