SCHEMBL20464110

SCHEMBL20464110

Cc1cc(F)cc(-c2cncc3[nH]c(-c4n[nH]c5cnc(-c6cncc(OC7CCCCC7)c6)cc45)cc23)c1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 2/20 0.56
CLK2 P49760 18/20 0.52
DYRK1A Q13627 18/20 0.52
CLK3 P49761 16/20 0.52

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
SCHEMBL20464111 0.93 CLK2 (0.60) WNT1CLK2DYRK1ACLK3
SCHEMBL20452601 0.92 WNT1 (0.56) WNT1CLK2DYRK1ACLK3
SCHEMBL18446797 0.91 WNT1 (0.56) WNT1CLK2DYRK1ACLK3
SCHEMBL20437287 0.89 CLK2 (0.59) WNT1CLK2DYRK1ACLK3
SCHEMBL18446291 0.89 CLK2 (0.59) WNT1CLK2DYRK1ACLK3
SCHEMBL20452793 0.88 WNT1 (0.71) WNT1CLK2DYRK1ACLK3
SCHEMBL20452732 0.88 CLK2 (0.61) WNT1CLK2DYRK1ACLK3
SCHEMBL20464113 0.88 CLK2 (0.57) WNT1CLK2DYRK1ACLK3
SCHEMBL20463527 0.87 WNT1 (0.43) WNT1CLK2DYRK1ACLK3
SCHEMBL17575988 0.86 WNT1 (0.70) WNT1CLK2DYRK1ACLK3

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-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 (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-20180221351-A1 3-(1H-PYRROLO[2,3-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINES AND THERAPEUTIC USES THEREOF WNT3, WNT1, WNT3A WNT1 2/4885CLK2 2035/4885DYRK1A 806/4885

“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.