SCHEMBL20928131

SCHEMBL20928131

Cn1cc(-c2cc3c(N4CCN(C(=O)CC5CCCC5)CC4)ccnc3[nH]2)cn1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 15/20 0.49
▸ TBK1 Q9UHD2 1/20 0.47
▸ CLK2 P49760 1/20 0.47
▸ CLK3 P49761 1/20 0.47
▸ DYRK1A Q13627 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ RET P07949 1/20 0.43
▸ AURKA O14965 1/20 0.42
▸ AURKB Q96GD4 1/20 0.42
▸ INCENP Q9NQS7 1/20 0.42
▸ TPX2 Q9ULW0 1/20 0.42

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
SCHEMBL20928120 0.96 KIT (0.50) KITTBK1CLK2CLK3DYRK1A
SCHEMBL20927814 0.91 KIT (0.47) KITCLK2CLK3DYRK1AALDH1A1
SCHEMBL22568657 0.87 MAPK1 (0.51) KITTBK1DYRK1AALDH1A1RET
SCHEMBL22568621 0.87 KIT (0.51) KITRETAURKAAURKBINCENP
SCHEMBL22568658 0.86 MAPK1 (0.52) KITTBK1ALDH1A1RET
SCHEMBL20928122 0.85 IDE (0.52) KITTBK1DYRK1AALDH1A1RET
SCHEMBL20927964 0.85 KIT (0.47) KITTBK1CLK2CLK3DYRK1A
SCHEMBL22568639 0.85 ALDH1A1 (0.51) KITTBK1DYRK1AALDH1A1AURKA
SCHEMBL20928313 0.85 KIT (0.49) KITCLK2CLK3DYRK1ARET
SCHEMBL20928385 0.85 KIT (0.51) KITCLK2CLK3DYRK1ARET

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 318/4885TBK1 397/4885CLK2 787/4885
US-20200331908-A1 SUBSTITUTED PYRROLOPYRIDINES AS INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE ALK, ACVR1, ACVR2A KIT 318/4885TBK1 397/4885CLK2 787/4885

“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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