SCHEMBL18440898

SCHEMBL18440898

CC(C)CC(=O)Nc1cncc(-c2cc3c(-c4cc5cccnc5[nH]4)n[nH]c3cn2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CLK2 P49760 13/20 1.00
▸ CLK3 P49761 13/20 1.00
▸ DYRK1A Q13627 13/20 1.00
▸ WNT1 P04628 7/20 0.71
▸ TGFBR1 P36897 6/20 0.62

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
SCHEMBL18442951 0.91 CLK2 (0.83) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18440801 0.91 CLK2 (0.83) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18475702 0.90 CLK2 (0.82) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18441051 0.90 CLK2 (0.82) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18440254 0.89 CLK2 (0.81) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18446526 0.89 CLK2 (0.81) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18441788 0.89 CLK2 (0.81) CLK2CLK3DYRK1AWNT1
SCHEMBL18449093 0.89 CLK2 (0.81) CLK2CLK3DYRK1AWNT1
SCHEMBL18440825 0.89 CLK2 (0.80) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18443315 0.89 CLK2 (0.79) CLK2CLK3DYRK1AWNT1TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10285982-B2 3-(1H-pyrrolo[2,3-B]pyridin-2-yl)-1H-pyrazolo[3,4-C]pyridines and therapeutic uses thereof SAMUMED, LLC (US) 2019-05-14 — — US claimed
WO-2017023980-A1 3-(1H-PYRROLO[2,3-B]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC. (US) 2017-02-09 — — WO claimed
US-20230000842-A1 METHODS OF TREATING CARTILAGE DISORDERS THROUGH INHIBITION OF CLK AND DYRK VICKERS-SPLICE CO-INVESTMENT LLC (KY) 2023-01-05 — — US disclosed
US-10285982-B2 3-(1H-pyrrolo[2,3-B]pyridin-2-yl)-1H-pyrazolo[3,4-C]pyridines and therapeutic uses thereof SAMUMED, LLC (US) 2019-05-14 — — US disclosed
US-10285982-B2 3-(1H-pyrrolo[2,3-B]pyridin-2-yl)-1H-pyrazolo[3,4-C]pyridines and therapeutic uses thereof SAMUMED, LLC (US) 2019-05-14 — — US disclosed
WO-2017023980-A1 3-(1H-PYRROLO[2,3-B]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC. (US) 2017-02-09 — — WO 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-10285982-B2 3-(1H-pyrrolo[2,3-B]pyridin-2-yl)-1H-pyrazolo[3,4-C]pyridines and therapeutic uses thereof WNT1, WNT3, WNT3A CLK2 2095/4885CLK3 2123/4885DYRK1A 806/4885
US-20230000842-A1 METHODS OF TREATING CARTILAGE DISORDERS THROUGH INHIBITION OF CLK AND DYRK CLK2, CLK3, CLK1 CLK2 1/4885CLK3 2/4885DYRK1A 7/4885

“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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