SCHEMBL20469498

SCHEMBL20469498

CC(C)CC(=O)Nc1cncc(-c2cnc3[nH]nc(-c4cc5c(-c6cc(F)cc(NCCN(C)C)c6)nccc5[nH]4)c3c2)c1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CLK2 P49760 17/20 0.63
▸ CLK3 P49761 17/20 0.63
▸ DYRK1A Q13627 17/20 0.63
▸ WNT1 P04628 4/20 0.53

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
SCHEMBL20454980 0.93 CLK2 (0.73) CLK2CLK3DYRK1AWNT1
SCHEMBL20469497 0.92 CLK2 (0.67) CLK2CLK3DYRK1AWNT1
SCHEMBL20469559 0.92 CLK2 (0.59) CLK2CLK3DYRK1AWNT1
SCHEMBL20469500 0.92 CLK2 (0.58) CLK2CLK3DYRK1AWNT1
SCHEMBL18489711 0.92 CLK2 (0.67) CLK2CLK3DYRK1AWNT1
SCHEMBL18482611 0.91 CLK2 (0.65) CLK2CLK3DYRK1AWNT1
SCHEMBL20452066 0.91 WNT1 (0.64) CLK2CLK3DYRK1AWNT1
SCHEMBL20469505 0.91 WNT1 (0.64) CLK2CLK3DYRK1AWNT1
SCHEMBL20469504 0.91 CLK2 (0.58) CLK2CLK3DYRK1AWNT1
SCHEMBL20966090 0.90 CLK2 (0.69) CLK2CLK3DYRK1AWNT1

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-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 2013/4885CLK3 2140/4885DYRK1A 896/4885
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 2013/4885CLK3 2140/4885DYRK1A 896/4885

“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.

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