SCHEMBL20463562

SCHEMBL20463562

CC(C)(C)OC(=O)n1c(OBO)cc2c(-c3cccc(F)c3)cncc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 5/20 0.46
▸ CSNK1D P48730 3/20 0.46
▸ GSK3A P49840 3/20 0.46
▸ GSK3B P49841 3/20 0.46
▸ AURKB Q96GD4 3/20 0.46
▸ RPS6KB1 P23443 2/20 0.46
▸ NTRK2 Q16620 1/20 0.46
▸ PLK4 O00444 2/20 0.42
▸ AURKA O14965 2/20 0.42
▸ DAPK3 O43293 2/20 0.42
▸ CHEK2 O96017 2/20 0.42
▸ CDK1 P06493 2/20 0.42
▸ PIM1 P11309 2/20 0.42
▸ CDK2 P24941 2/20 0.42
▸ FLT4 P35916 2/20 0.42
▸ KDR P35968 2/20 0.42
▸ MAPK9 P45984 2/20 0.42
▸ PLK1 P53350 2/20 0.42
▸ CSNK2A1 P68400 2/20 0.42
▸ PLK3 Q9H4B4 2/20 0.42

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
SCHEMBL18442193 0.83 DYRK1A (0.46) DYRK1ACSNK1DGSK3AGSK3BAURKB
SCHEMBL20409196 0.81 TOP2A (0.40) DYRK1ACSNK1DGSK3AGSK3BAURKB
SCHEMBL20435585 0.81 MAP2K4 (0.37) DYRK1ACSNK1DGSK3AGSK3BAURKB
SCHEMBL18443336 0.78 CSNK1D (0.48) DYRK1ACSNK1DGSK3AGSK3BAURKB
SCHEMBL18476349 0.75 CSNK1D (0.40) DYRK1ACSNK1DGSK3AGSK3BAURKB
SCHEMBL18482860 0.74 NR1H2 (0.38) DYRK1ACSNK1DGSK3AGSK3BAURKB
SCHEMBL18482579 0.73 GPR119 (0.41) SLC22A12GABRG2GABRB3GABRA5GABRA1
SCHEMBL18441917 0.73 CSNK1D (0.38) DYRK1ACSNK1DGSK3AGSK3BAURKB
SCHEMBL20463563 0.72 CYP11B2 (0.38) DYRK1ACHEK1GABRG2GABRB3GABRA5
SCHEMBL20436872 0.71 RIPK1 (0.36) GSK3BCDK1NR1H2

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-20180221352-A1 3-(1H-PYRROLO[2,3-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC 2018-08-09 — — US disclosed
US-20180221351-A1 3-(1H-PYRROLO[2,3-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINES AND THERAPEUTIC USES THEREOF MED-PATHWAYS II LIMITED (VG) 2018-08-09 — — 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 (2 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-20180221352-A1 3-(1H-PYRROLO[2,3-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF WNT1, WNT3A, WNT3 DYRK1A 896/4885CSNK1D 763/4885GSK3A 19/4885
US-20180221351-A1 3-(1H-PYRROLO[2,3-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINES AND THERAPEUTIC USES THEREOF WNT3, WNT1, WNT3A DYRK1A 806/4885CSNK1D 735/4885GSK3A 17/4885

“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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