SCHEMBL18452083

SCHEMBL18452083

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

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CLK2 P49760 15/20 0.52
▸ DYRK1A Q13627 15/20 0.52
▸ CLK3 P49761 14/20 0.52
▸ WNT1 P04628 5/20 0.47
▸ TGFBR1 P36897 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
SCHEMBL20467182 0.94 WNT1 (0.48) CLK2DYRK1ACLK3WNT1
SCHEMBL18483265 0.93 CLK2 (0.51) CLK2DYRK1ACLK3WNT1TGFBR1
SCHEMBL18453064 0.92 CLK2 (0.55) CLK2DYRK1ACLK3WNT1TGFBR1
SCHEMBL18447629 0.91 CLK2 (0.65) CLK2DYRK1ACLK3WNT1
SCHEMBL20452893 0.91 CLK2 (0.53) CLK2DYRK1ACLK3WNT1TGFBR1
SCHEMBL18452710 0.90 WNT1 (0.59) CLK2DYRK1ACLK3WNT1TGFBR1
SCHEMBL18452259 0.89 CLK2 (0.58) CLK2DYRK1ACLK3WNT1
SCHEMBL18452423 0.89 CLK2 (0.49) CLK2DYRK1ACLK3WNT1TGFBR1
SCHEMBL20453261 0.89 CLK2 (0.56) CLK2DYRK1ACLK3WNT1
SCHEMBL20467137 0.89 CLK2 (0.43) CLK2DYRK1ACLK3WNT1

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 2019/4885DYRK1A 896/4885CLK3 2160/4885

“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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