SCHEMBL20467182

SCHEMBL20467182

CC(C)C(O)Nc1cncc(-c2cnc3[nH]nc(-c4cc5c(-c6cc(F)cc(OCCN(C)C)c6)cncc5[nH]4)c3c2)c1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ WNT1 P04628 3/20 0.48
▸ CLK2 P49760 17/20 0.47
▸ DYRK1A Q13627 17/20 0.47
▸ CLK3 P49761 16/20 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
SCHEMBL18452083 0.94 CLK2 (0.52) WNT1CLK2DYRK1ACLK3
SCHEMBL18452259 0.89 CLK2 (0.58) WNT1CLK2DYRK1ACLK3
SCHEMBL20452893 0.89 CLK2 (0.53) WNT1CLK2DYRK1ACLK3
SCHEMBL20467137 0.89 CLK2 (0.43) WNT1CLK2DYRK1ACLK3
SCHEMBL18453112 0.88 WNT1 (0.62) WNT1CLK2DYRK1ACLK3
SCHEMBL18485819 0.88 DYRK1A (0.51) WNT1CLK2DYRK1ACLK3
SCHEMBL18452423 0.87 CLK2 (0.49) WNT1CLK2DYRK1ACLK3
SCHEMBL18452600 0.87 CLK2 (0.49) WNT1CLK2DYRK1ACLK3
SCHEMBL20453570 0.87 CLK2 (0.49) WNT1CLK2DYRK1ACLK3
SCHEMBL18452368 0.87 CLK2 (0.55) 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-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

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-20180221352-A1 3-(1H-PYRROLO[2,3-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF WNT1, WNT3A, WNT3 WNT1 1/4885CLK2 2019/4885DYRK1A 896/4885

“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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