SCHEMBL20452672

SCHEMBL20452672

CN(C)CCNc1cc(F)cc(-c2cncc3[nH]c(-c4n[nH]c5cnc(-c6cncc(NC(=O)CN(C)C)c6)cc45)cc23)c1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CLK2 P49760 13/20 0.73
▸ CLK3 P49761 13/20 0.73
▸ DYRK1A Q13627 13/20 0.73
▸ WNT1 P04628 7/20 0.61
▸ TGFBR1 P36897 4/20 0.61

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
SCHEMBL20452691 0.94 CLK2 (0.75) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL20452705 0.94 CLK2 (0.83) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL20452733 0.93 CLK2 (0.74) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18494222 0.93 CLK2 (0.84) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL20452340 0.93 CLK2 (0.73) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL20452348 0.92 CLK2 (0.78) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL20452801 0.92 CLK2 (0.65) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL20452324 0.91 CLK2 (0.86) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL20452582 0.91 CLK2 (0.74) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL20464121 0.91 CLK2 (0.64) 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-20180221351-A1 3-(1H-PYRROLO[2,3-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINES AND THERAPEUTIC USES THEREOF MED-PATHWAYS II LIMITED (VG) 2018-08-09 — — US claimed
US-10383861-B2 3-(1H-pyrrolo[2,3-C]pyridin-2-yl)-1H-pyrazolo[3,4-C]pyridines and therapeutic uses thereof Sammumed, LLC (US) 2019-08-20 — — US disclosed
US-20180221351-A1 3-(1H-PYRROLO[2,3-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINES AND THERAPEUTIC USES THEREOF MED-PATHWAYS II LIMITED (VG) 2018-08-09 — — US disclosed
US-20180221351-A1 3-(1H-PYRROLO[2,3-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINES AND THERAPEUTIC USES THEREOF MED-PATHWAYS II LIMITED (VG) 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 (2 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-10383861-B2 3-(1H-pyrrolo[2,3-C]pyridin-2-yl)-1H-pyrazolo[3,4-C]pyridines and therapeutic uses thereof WNT3, WNT1, WNT3A CLK2 2035/4885CLK3 1972/4885DYRK1A 806/4885
US-20180221351-A1 3-(1H-PYRROLO[2,3-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINES AND THERAPEUTIC USES THEREOF WNT3, WNT1, WNT3A CLK2 2035/4885CLK3 1972/4885DYRK1A 806/4885

“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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