SCHEMBL20775477

SCHEMBL20775477

c1ccc2[nH]c(-c3n[nH]c4ccc(-c5cncnc5)nc34)cc2c1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITK Q08881 10/20 0.62
CLK2 P49760 9/20 0.60
CLK3 P49761 8/20 0.60
DYRK1A Q13627 8/20 0.60
CYP19A1 P11511 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
SCHEMBL18445184 0.88 CLK2 (0.77) ITKCLK2CLK3DYRK1ACYP19A1
SCHEMBL18445025 0.88 ITK (0.66) ITKCLK2CLK3DYRK1A
SCHEMBL18442718 0.86 CLK2 (0.59) ITKCLK2CLK3DYRK1A
SCHEMBL18450802 0.86 CLK2 (0.67) ITKCLK2CLK3DYRK1A
SCHEMBL18445218 0.86 CLK2 (0.59) ITKCLK2CLK3DYRK1A
SCHEMBL18445412 0.86 ITK (0.57) ITKCLK2CLK3DYRK1A
SCHEMBL18445442 0.85 ITK (0.60) ITKCLK2CLK3DYRK1A
SCHEMBL18445136 0.84 CLK2 (0.59) ITKCLK2CLK3DYRK1A
SCHEMBL18448953 0.83 CLK2 (0.85) ITKCLK2CLK3DYRK1A
SCHEMBL18444650 0.83 CLK2 (0.61) ITKCLK2CLK3DYRK1A

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-10226453-B2 3-(1H-indol-2-yl)-1H-pyrazolo[4,3-B]pyridines and therapeutic uses thereof SAMUMED, LLC (US) 2019-03-12 US claimed
US-10226453-B2 3-(1H-indol-2-yl)-1H-pyrazolo[4,3-B]pyridines and therapeutic uses thereof SAMUMED, LLC (US) 2019-03-12 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-10226453-B2 3-(1H-indol-2-yl)-1H-pyrazolo[4,3-B]pyridines and therapeutic uses thereof WNT1, WNT3, WNT3A ITK 1765/4885CLK2 1586/4885CLK3 1498/4885

“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.