SCHEMBL20965743

SCHEMBL20965743

CC(C)CC(=O)Nc1cncc(-c2cnc3[nH]nc(-c4cc5c(-c6ccoc6)ccnc5[nH]4)c3c2)c1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CLK3 P49761 16/20 0.68
▸ CLK2 P49760 15/20 0.68
▸ DYRK1A Q13627 15/20 0.68
▸ WNT1 P04628 5/20 0.62
▸ TGFBR1 P36897 1/20 0.55

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
SCHEMBL18479959 0.92 CLK2 (0.81) CLK3CLK2DYRK1AWNT1TGFBR1
SCHEMBL20966199 0.92 CLK3 (0.71) CLK3CLK2DYRK1AWNT1
SCHEMBL20966047 0.91 CLK3 (0.70) CLK3CLK2DYRK1AWNT1
SCHEMBL20965695 0.91 WNT1 (0.68) CLK3CLK2DYRK1AWNT1
SCHEMBL20965849 0.91 CLK3 (0.76) CLK3CLK2DYRK1AWNT1
SCHEMBL20965996 0.90 CLK2 (0.65) CLK3CLK2DYRK1AWNT1TGFBR1
SCHEMBL18454148 0.90 CLK2 (0.62) CLK3CLK2DYRK1AWNT1TGFBR1
SCHEMBL20966136 0.89 CLK3 (0.70) CLK3CLK2DYRK1AWNT1
SCHEMBL20965748 0.89 CLK3 (0.68) CLK3CLK2DYRK1AWNT1
SCHEMBL18479348 0.89 CLK3 (0.85) CLK3CLK2DYRK1AWNT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10285983-B2 3-(1H-pyrrolo[2,3-B]pyridin-2-yl)-1H-pyrazolo[3,4-B] pyridines and therapeutic uses thereof SAMUMED, LLC (US) 2019-05-14 — — US claimed
US-10285983-B2 3-(1H-pyrrolo[2,3-B]pyridin-2-yl)-1H-pyrazolo[3,4-B] pyridines and therapeutic uses thereof SAMUMED, LLC (US) 2019-05-14 — — 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-10285983-B2 3-(1H-pyrrolo[2,3-B]pyridin-2-yl)-1H-pyrazolo[3,4-B] pyridines and therapeutic uses thereof WNT1, WNT3A, WNT3 CLK3 2290/4885CLK2 2043/4885DYRK1A 849/4885

“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.

Send feedback