SCHEMBL20451871

SCHEMBL20451871

CN(C)CCOc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5ncc(-c6cncc(CN(C)C)c6)cc45)cc23)c1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 18/20 0.65
DYRK1A Q13627 18/20 0.65
CLK3 P49761 17/20 0.65
WNT1 P04628 2/20 0.45

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
SCHEMBL20451826 0.93 CLK2 (0.67) CLK2DYRK1ACLK3WNT1
SCHEMBL18437389 0.92 CLK2 (0.66) CLK2DYRK1ACLK3WNT1
SCHEMBL20455153 0.92 CLK2 (0.75) CLK2DYRK1ACLK3WNT1
SCHEMBL20452099 0.91 CLK2 (0.58) CLK2DYRK1ACLK3WNT1
SCHEMBL18493930 0.91 CLK2 (0.62) CLK2DYRK1ACLK3WNT1
SCHEMBL20452332 0.91 CLK2 (0.60) CLK2DYRK1ACLK3WNT1
SCHEMBL20451711 0.91 CLK2 (0.60) CLK2DYRK1ACLK3WNT1
SCHEMBL20451781 0.90 CLK2 (0.59) CLK2DYRK1ACLK3WNT1
SCHEMBL20452101 0.90 CLK2 (0.59) CLK2DYRK1ACLK3WNT1
SCHEMBL18437400 0.90 CLK2 (0.55) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10226448-B2 3-(1H-pyrrolo[3,2-C]pyridin-2-yl)-1H-pyrazolo[3,4-B]pyridines and therapeutic uses thereof SAMUMED, LLC (US) 2019-03-12 US claimed
US-20180221341-A1 3-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF VICKERS-SPLICE CO-INVESTMENT LLC (KY) 2018-08-09 US claimed
US-10226448-B2 3-(1H-pyrrolo[3,2-C]pyridin-2-yl)-1H-pyrazolo[3,4-B]pyridines and therapeutic uses thereof SAMUMED, LLC (US) 2019-03-12 US disclosed
US-20180221341-A1 3-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF VICKERS-SPLICE CO-INVESTMENT LLC (KY) 2018-08-09 US disclosed
US-20180221341-A1 3-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF VICKERS-SPLICE CO-INVESTMENT LLC (KY) 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-10226448-B2 3-(1H-pyrrolo[3,2-C]pyridin-2-yl)-1H-pyrazolo[3,4-B]pyridines and therapeutic uses thereof WNT1, WNT3A, WNT3 CLK2 2013/4885DYRK1A 896/4885CLK3 2140/4885
US-20180221341-A1 3-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF WNT1, WNT3A, WNT3 CLK2 2013/4885DYRK1A 896/4885CLK3 2140/4885

“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.