SCHEMBL18445668

SCHEMBL18445668

C1=C(c2ccc3[nH]nc(-c4cc5ccccc5[nH]4)c3n2)CCNC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 17/20 0.55
CLK2 P49760 1/20 0.43
CLK3 P49761 1/20 0.43
DYRK1A Q13627 1/20 0.43
WNT1 P04628 1/20 0.41
PLK4 O00444 1/20 0.40
CHEK1 O14757 1/20 0.40
AURKA O14965 1/20 0.40
CCNB2 O95067 1/20 0.40
ABL1 P00519 1/20 0.40
CDK1 P06493 1/20 0.40
PDGFRB P09619 1/20 0.40
CDK4 P11802 1/20 0.40
SRC P12931 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNA2 P20248 1/20 0.40
CCND1 P24385 1/20 0.40
CDK2 P24941 1/20 0.40
WEE1 P30291 1/20 0.40
TTK P33981 1/20 0.40

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
SCHEMBL18442657 0.86 CLK2 (0.50) ITKCLK2CLK3DYRK1AWNT1
SCHEMBL18452631 0.86 CLK2 (0.54) ITKCLK2CLK3DYRK1AWNT1
SCHEMBL18448832 0.85 CLK2 (0.63) ITKCLK2CLK3DYRK1AWNT1
SCHEMBL18444994 0.85 ITK (0.48) ITKCLK2CLK3DYRK1AWNT1
SCHEMBL18445457 0.83 CLK2 (0.49) ITKCLK2CLK3DYRK1AWNT1
SCHEMBL18451018 0.82 DYRK1A (0.47) ITKCLK2CLK3DYRK1AWNT1
SCHEMBL20775498 0.82 CLK2 (0.54) ITKCLK2CLK3DYRK1AWNT1
SCHEMBL18443730 0.81 WNT1 (0.56) ITKCLK2CLK3DYRK1AWNT1
SCHEMBL18445415 0.81 CLK2 (0.49) ITKCLK2CLK3DYRK1AWNT1
SCHEMBL18446234 0.80 ITK (0.56) ITKCLK2CLK3DYRK1ACHEK1

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 ITK 1765/4885CLK2 1586/4885CLK3 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.