SCHEMBL20928385

SCHEMBL20928385

CC(C)CC(=O)N1CCN(c2ccnc3[nH]c(-c4cnn(C)c4)cc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 12/20 0.51
▸ CLK2 P49760 1/20 0.48
▸ CLK3 P49761 1/20 0.48
▸ DYRK1A Q13627 1/20 0.48
▸ RET P07949 4/20 0.47
▸ AURKA O14965 2/20 0.44
▸ AURKB Q96GD4 2/20 0.44
▸ INCENP Q9NQS7 2/20 0.44
▸ TPX2 Q9ULW0 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL20928388 0.92 KIT (0.49) KITCLK2CLK3DYRK1ARET
SCHEMBL22568621 0.90 KIT (0.51) KITRETAURKAAURKBINCENP
SCHEMBL20927905 0.88 KIT (0.53) KITCLK2CLK3DYRK1ARET
SCHEMBL20928313 0.87 KIT (0.49) KITCLK2CLK3DYRK1ARET
SCHEMBL20927801 0.86 KIT (0.49) KITCLK2CLK3DYRK1ARET
SCHEMBL22568631 0.86 KIT (0.48) KITRETAURKAAURKBINCENP
SCHEMBL20928120 0.86 KIT (0.50) KITCLK2CLK3DYRK1ARET
SCHEMBL22568655 0.86 KIT (0.50) KITCLK2CLK3DYRK1ARET
SCHEMBL20927781 0.86 KIT (0.50) KITCLK2CLK3DYRK1AAURKA
SCHEMBL22568642 0.85 KIT (0.51) KITCLK2CLK3DYRK1AAURKA

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-11236086-B2 Substituted pyrrolopyridines as inhibitors of activin receptor-like kinase BLUEPRINT MEDICINES CORPORATION (US) 2022-02-01 — — US disclosed
US-20200331908-A1 SUBSTITUTED PYRROLOPYRIDINES AS INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE BLUEPRINT MEDICINES CORPORATION 2020-10-22 — — US disclosed
WO-2019079649-A1 SUBSTITUTED PYRROLOPYRIDINES AS INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE BLUEPRINT MEDICINES CORPORATION (US) 2019-04-25 — — 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-11236086-B2 Substituted pyrrolopyridines as inhibitors of activin receptor-like kinase ALK, ACVR1, ACVR2A KIT 318/4885CLK2 787/4885CLK3 1183/4885
US-20200331908-A1 SUBSTITUTED PYRROLOPYRIDINES AS INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE ALK, ACVR1, ACVR2A KIT 318/4885CLK2 787/4885CLK3 1183/4885

“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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