SCHEMBL20323299

SCHEMBL20323299

CN(C)CCOc1cc(F)cc(-c2cncc3[nH]c(-c4n[nH]c5cnc(-c6cncc(NC(O)C7CC7)c6)cc45)nc23)c1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ WNT1 P04628 13/20 0.64
▸ CLK2 P49760 6/20 0.60
▸ CLK3 P49761 6/20 0.60
▸ DYRK1A Q13627 6/20 0.60
▸ TGFBR1 P36897 10/20 0.58

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
SCHEMBL17575842 0.90 WNT1 (0.71) WNT1CLK2CLK3DYRK1ATGFBR1
SCHEMBL20323242 0.89 WNT1 (0.68) WNT1CLK2CLK3DYRK1ATGFBR1
SCHEMBL19362903 0.89 WNT1 (0.64) WNT1CLK2CLK3DYRK1ATGFBR1
SCHEMBL20467643 0.89 CLK2 (0.55) WNT1CLK2CLK3DYRK1ATGFBR1
SCHEMBL19362949 0.88 WNT1 (0.64) WNT1CLK2CLK3DYRK1ATGFBR1
SCHEMBL17575838 0.87 WNT1 (0.69) WNT1CLK2CLK3DYRK1ATGFBR1
SCHEMBL20323308 0.87 CLK2 (0.74) WNT1CLK2CLK3DYRK1ATGFBR1
SCHEMBL17575862 0.86 WNT1 (0.74) WNT1CLK2CLK3DYRK1ATGFBR1
SCHEMBL17575841 0.86 WNT1 (0.68) WNT1CLK2CLK3DYRK1ATGFBR1
SCHEMBL17575837 0.86 WNT1 (0.68) WNT1CLK2CLK3DYRK1ATGFBR1

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-20180177787-A1 3-(3H-IMIDAZO[4,5-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINE AND THERAPEUTIC USES THEREOF MED-PATHWAYS II LIMITED (VG) 2018-06-28 — — 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-20180177787-A1 3-(3H-IMIDAZO[4,5-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINE AND THERAPEUTIC USES THEREOF WNT3, WNT1, WNT3A WNT1 2/4885CLK2 2336/4885CLK3 1835/4885

“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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