SCHEMBL18445557

SCHEMBL18445557

c1cnc2cc(-c3n[nH]c4ccc(-c5cnccn5)nc34)[nH]c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 13/20 0.57
DYRK1A Q13627 12/20 0.57
CLK3 P49761 11/20 0.57
ITK Q08881 7/20 0.53
PLK4 O00444 1/20 0.46
CHEK1 O14757 1/20 0.46
AURKA O14965 1/20 0.46
CCNB2 O95067 1/20 0.46
ABL1 P00519 1/20 0.46
CDK1 P06493 1/20 0.46
PDGFRB P09619 1/20 0.46
CDK4 P11802 1/20 0.46
SRC P12931 1/20 0.46
CCNB1 P14635 1/20 0.46
CCNA2 P20248 1/20 0.46
CCND1 P24385 1/20 0.46
CDK2 P24941 1/20 0.46
WEE1 P30291 1/20 0.46
TTK P33981 1/20 0.46
KDR P35968 1/20 0.46

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
SCHEMBL18444857 0.88 CLK2 (0.74) CLK2DYRK1ACLK3ITK
SCHEMBL18445148 0.87 ITK (0.60) CLK2DYRK1ACLK3ITKPLK4
SCHEMBL18445724 0.86 ITK (0.65) CLK2DYRK1ACLK3ITKPLK4
SCHEMBL18444650 0.85 CLK2 (0.61) CLK2DYRK1ACLK3ITK
SCHEMBL18450150 0.85 CLK2 (0.78) CLK2DYRK1ACLK3ITK
SCHEMBL18445370 0.84 CLK2 (0.59) CLK2DYRK1ACLK3ITKPLK4
SCHEMBL18445446 0.83 CLK2 (0.68) CLK2DYRK1ACLK3ITKPLK4
SCHEMBL20591319 0.83 CLK2 (0.55) CLK2DYRK1ACLK3ITKPLK4
SCHEMBL18451844 0.83 CLK2 (0.60) CLK2DYRK1ACLK3ITK
SCHEMBL18443578 0.82 PIM1 (0.62) CLK2DYRK1ACLK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10226453-B2 3-(1H-indol-2-yl)-1H-pyrazolo[4,3-B]pyridines and therapeutic uses thereof SAMUMED, LLC (US) 2019-03-12 US claimed
WO-2017023993-A1 3-(1H-INDOL-2-YL)-1H-PYRAZOLO[4,3-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC. (US) 2017-02-09 WO claimed
US-10226453-B2 3-(1H-indol-2-yl)-1H-pyrazolo[4,3-B]pyridines and therapeutic uses thereof SAMUMED, LLC (US) 2019-03-12 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-10226453-B2 3-(1H-indol-2-yl)-1H-pyrazolo[4,3-B]pyridines and therapeutic uses thereof WNT1, WNT3, WNT3A CLK2 1586/4885DYRK1A 503/4885CLK3 1498/4885

“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.