SCHEMBL18452608

SCHEMBL18452608

CC(C)CC(=O)Nc1cncc(-c2cnc3[nH]nc(-c4cc5c(-c6cccs6)cncc5[nH]4)c3c2)c1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CLK2 P49760 18/20 0.66
▸ CLK3 P49761 18/20 0.66
▸ DYRK1A Q13627 18/20 0.66
▸ WNT1 P04628 2/20 0.49
▸ CLK1 P49759 1/20 0.49
▸ GSK3B P49841 1/20 0.49
▸ DYRK2 Q92630 1/20 0.49
▸ CLK4 Q9HAZ1 1/20 0.49
▸ DYRK1B Q9Y463 1/20 0.49

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
SCHEMBL18453031 0.93 CLK2 (0.67) CLK2CLK3DYRK1AWNT1
SCHEMBL18453309 0.92 CLK2 (0.62) CLK2CLK3DYRK1AWNT1
SCHEMBL18448012 0.91 CLK2 (0.80) CLK2CLK3DYRK1AWNT1CLK1
SCHEMBL18453234 0.91 CLK3 (0.65) CLK2CLK3DYRK1AWNT1
SCHEMBL20451687 0.90 CLK2 (0.80) CLK2CLK3DYRK1AWNT1
SCHEMBL18451137 0.90 CLK2 (0.64) CLK2CLK3DYRK1AWNT1
SCHEMBL18452822 0.90 CLK2 (0.62) CLK2CLK3DYRK1AWNT1
SCHEMBL18452592 0.90 CLK2 (0.60) CLK2CLK3DYRK1AWNT1
SCHEMBL18452350 0.90 CLK2 (0.54) CLK2CLK3DYRK1AWNT1
SCHEMBL18448039 0.89 CLK3 (0.65) CLK2CLK3DYRK1AWNT1

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 4 patents. 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 claimed
WO-2017023981-A1 3-(1H-PYRROLO[2,3-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC. (US) 2017-02-09 — — WO claimed
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
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 CLK2 2019/4885CLK3 2160/4885DYRK1A 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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