SCHEMBL20452825

SCHEMBL20452825

CN(C)CCOc1cc(F)cc(-c2cncc3[nH]c(-c4n[nH]c5cnc(-c6cncc(NC(=O)C7CC7)c6)cc45)cc23)c1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CLK2 P49760 16/20 0.68
▸ DYRK1A Q13627 15/20 0.68
▸ CLK3 P49761 14/20 0.68
▸ WNT1 P04628 5/20 0.59

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
SCHEMBL20452651 0.97 CLK2 (0.70) CLK2DYRK1ACLK3WNT1
SCHEMBL18475687 0.97 CLK2 (0.72) CLK2DYRK1ACLK3WNT1
SCHEMBL18475683 0.97 CLK2 (0.69) CLK2DYRK1ACLK3WNT1
SCHEMBL18443509 0.93 CLK2 (0.70) CLK2DYRK1ACLK3WNT1
SCHEMBL18448205 0.92 CLK2 (0.66) CLK2DYRK1ACLK3WNT1
SCHEMBL20452654 0.91 WNT1 (0.62) CLK2DYRK1ACLK3WNT1
SCHEMBL20964771 0.91 CLK2 (0.73) CLK2DYRK1ACLK3WNT1
SCHEMBL20422927 0.91 CLK2 (0.73) CLK2DYRK1ACLK3WNT1
SCHEMBL20452758 0.91 CLK2 (0.70) CLK2DYRK1ACLK3WNT1
SCHEMBL18475860 0.91 CLK2 (0.70) CLK2DYRK1ACLK3WNT1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10383861-B2 3-(1H-pyrrolo[2,3-C]pyridin-2-yl)-1H-pyrazolo[3,4-C]pyridines and therapeutic uses thereof Sammumed, LLC (US) 2019-08-20 — — US claimed
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 claimed
US-10383861-B2 3-(1H-pyrrolo[2,3-C]pyridin-2-yl)-1H-pyrazolo[3,4-C]pyridines and therapeutic uses thereof Sammumed, LLC (US) 2019-08-20 — — 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
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-10383861-B2 3-(1H-pyrrolo[2,3-C]pyridin-2-yl)-1H-pyrazolo[3,4-C]pyridines and therapeutic uses thereof WNT3, WNT1, WNT3A CLK2 2035/4885DYRK1A 806/4885CLK3 1972/4885
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 CLK2 2035/4885DYRK1A 806/4885CLK3 1972/4885

“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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