SCHEMBL20775498

SCHEMBL20775498

C1=C(c2ccc3[nH]nc(-c4cc5c(-c6ccccn6)cccc5[nH]4)c3n2)CCNC1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 11/20 0.54
CLK3 P49761 11/20 0.54
DYRK1A Q13627 11/20 0.54
WNT1 P04628 1/20 0.46
ITK Q08881 3/20 0.45
CDK9 P50750 3/20 0.42
CCNT1 O60563 1/20 0.39
LRRK2 Q5S007 1/20 0.38

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
SCHEMBL18451018 0.90 DYRK1A (0.47) CLK2CLK3DYRK1AWNT1ITK
SCHEMBL18442698 0.90 DYRK1A (0.50) CLK2CLK3DYRK1AWNT1CDK9
SCHEMBL18448711 0.89 CDK9 (0.54) CLK2CLK3DYRK1AWNT1CDK9
SCHEMBL18445415 0.87 CLK2 (0.49) CLK2CLK3DYRK1AWNT1ITK
SCHEMBL18445457 0.87 CLK2 (0.49) CLK2CLK3DYRK1AWNT1ITK
SCHEMBL20596791 0.86 WNT1 (0.55) CLK2CLK3DYRK1AWNT1CDK9
SCHEMBL18446950 0.86 CLK3 (0.47) CLK2CLK3DYRK1AWNT1ITK
SCHEMBL18445640 0.85 CLK3 (0.60) CLK2CLK3DYRK1AWNT1
SCHEMBL18444920 0.85 CLK2 (0.59) CLK2CLK3DYRK1AWNT1ITK
SCHEMBL18445131 0.84 WNT1 (0.50) CLK2CLK3DYRK1AWNT1CDK9

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-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
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 1586/4885CLK3 1498/4885DYRK1A 503/4885

“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.