SCHEMBL18453064

SCHEMBL18453064

CC(C)Nc1cncc(-c2cnc3[nH]nc(-c4cc5c(-c6cc(F)cc(OCCN(C)C)c6)cccc5[nH]4)c3c2)c1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CLK2 P49760 13/20 0.55
▸ DYRK1A Q13627 12/20 0.55
▸ CLK3 P49761 11/20 0.55
▸ WNT1 P04628 7/20 0.50
▸ TGFBR1 P36897 2/20 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
SCHEMBL18447080 0.92 CLK2 (0.66) CLK2DYRK1ACLK3WNT1TGFBR1
SCHEMBL18452083 0.92 CLK2 (0.52) CLK2DYRK1ACLK3WNT1TGFBR1
SCHEMBL18453181 0.91 CLK2 (0.55) CLK2DYRK1ACLK3WNT1TGFBR1
SCHEMBL18453818 0.90 CLK2 (0.64) CLK2DYRK1ACLK3WNT1TGFBR1
SCHEMBL20451867 0.90 CLK2 (0.57) CLK2DYRK1ACLK3WNT1
SCHEMBL18453443 0.90 CLK2 (0.55) CLK2DYRK1ACLK3WNT1
SCHEMBL18453182 0.90 CLK2 (0.59) CLK2DYRK1ACLK3WNT1TGFBR1
SCHEMBL18483265 0.90 CLK2 (0.51) CLK2DYRK1ACLK3WNT1TGFBR1
SCHEMBL20965825 0.89 CLK2 (0.56) CLK2DYRK1ACLK3WNT1TGFBR1
SCHEMBL18453263 0.89 CLK2 (0.52) CLK2DYRK1ACLK3WNT1TGFBR1

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-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

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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