SCHEMBL18453796

SCHEMBL18453796

c1csc(-c2cccc3[nH]c(-c4n[nH]c5ncc(-c6ccncc6)cc45)cc23)c1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CLK2 P49760 12/20 0.49
▸ DYRK1A Q13627 11/20 0.49
▸ CLK3 P49761 9/20 0.49
▸ WNT1 P04628 6/20 0.47
▸ CDK8 P49336 1/20 0.44

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
SCHEMBL18453228 0.92 CLK3 (0.55) CLK2DYRK1ACLK3WNT1CDK8
SCHEMBL18452750 0.91 CLK2 (0.49) CLK2DYRK1ACLK3WNT1CDK8
SCHEMBL18453050 0.90 DYRK1A (0.60) CLK2DYRK1ACLK3WNT1CDK8
SCHEMBL18453081 0.89 DYRK1A (0.47) CLK2DYRK1ACLK3WNT1
SCHEMBL18454371 0.89 WNT1 (0.51) CLK2DYRK1ACLK3WNT1
SCHEMBL18452504 0.89 CLK3 (0.49) CLK2DYRK1ACLK3WNT1CDK8
SCHEMBL18482874 0.89 CLK2 (0.49) CLK2DYRK1ACLK3WNT1CDK8
SCHEMBL20423480 0.89 CLK2 (0.50) CLK2DYRK1ACLK3WNT1
SCHEMBL18453932 0.89 CLK2 (0.50) CLK2DYRK1ACLK3
SCHEMBL18454063 0.89 CLK2 (0.46) CLK2DYRK1ACLK3WNT1CDK8

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
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
WO-2017023996-A1 3-(1H-PYRROLO[2,3-B]PYRIDIN-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 1502/4885DYRK1A 560/4885CLK3 1500/4885

“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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