SCHEMBL18453477

SCHEMBL18453477

CCCC(=O)Nc1cncc(-c2cnc3[nH]nc(-c4cc5ccccc5[nH]4)c3c2)c1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CLK2 P49760 16/20 0.65
▸ CLK3 P49761 16/20 0.65
▸ DYRK1A Q13627 16/20 0.65
▸ ITK Q08881 1/20 0.51
▸ WNT1 P04628 3/20 0.50

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
SCHEMBL18453850 0.96 CLK2 (0.70) CLK2CLK3DYRK1AITKWNT1
SCHEMBL18453459 0.94 CLK2 (0.60) CLK2CLK3DYRK1AITK
SCHEMBL18437137 0.90 CLK3 (0.73) CLK2CLK3DYRK1AWNT1
SCHEMBL18452472 0.90 CLK3 (0.64) CLK2CLK3DYRK1AWNT1
SCHEMBL12370354 0.90 CLK2 (0.63) CLK2CLK3DYRK1AWNT1
SCHEMBL18452934 0.90 CLK2 (0.64) CLK2CLK3DYRK1AITKWNT1
SCHEMBL20423297 0.90 CLK2 (0.55) CLK2CLK3DYRK1AITKWNT1
SCHEMBL18447170 0.89 CLK2 (0.75) CLK2CLK3DYRK1AITKWNT1
SCHEMBL18482391 0.89 CLK2 (0.54) CLK2CLK3DYRK1AITK
SCHEMBL18452512 0.89 CLK2 (0.71) CLK2CLK3DYRK1AITKWNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180214428-A1 3-(1H-INDOL-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC 2018-08-02 — — US claimed
WO-2017023973-A1 3-(1H-INDOL-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC. (US) 2017-02-09 — — WO claimed
US-20180214428-A1 3-(1H-INDOL-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC 2018-08-02 — — US disclosed
US-20180214428-A1 3-(1H-INDOL-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC 2018-08-02 — — US disclosed
US-20180214428-A1 3-(1H-INDOL-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC 2018-08-02 — — US disclosed
WO-2017023973-A1 3-(1H-INDOL-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC. (US) 2017-02-09 — — WO 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-20180214428-A1 3-(1H-INDOL-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF WNT1, WNT3, WNT3A CLK2 1502/4885CLK3 1500/4885DYRK1A 560/4885

“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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