SCHEMBL20589378

SCHEMBL20589378

OC[C@@H]1CCCN1c1nc(Nc2nc3ccccc3o2)c2sccc2n1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 3/20 0.52
▸ ADORA1 P30542 3/20 0.52
▸ ADORA3 P0DMS8 2/20 0.52
▸ ADORA2B P29275 1/20 0.52
▸ ACVR1 Q04771 6/20 0.45
▸ AURKB Q96GD4 1/20 0.44
▸ CDK1 P06493 6/20 0.40
▸ PDE4D Q08499 2/20 0.39
▸ PDE10A Q9Y233 1/20 0.39
▸ CCNE2 O96020 1/20 0.39
▸ CDK4 P11802 1/20 0.39
▸ CCND1 P24385 1/20 0.39
▸ CCNE1 P24864 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ CDK5 Q00535 3/20 0.37
▸ PRKCA P17252 1/20 0.37

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
SCHEMBL31095355 1.00 ADORA2A (0.52) ADORA2AADORA1ADORA3ADORA2BACVR1
SCHEMBL20589377 1.00 ADORA2A (0.52) ADORA2AADORA1ADORA3ADORA2BACVR1
SCHEMBL25265995 0.76 ACVR1 (0.73) ADORA2AADORA1ADORA3ADORA2BACVR1
SCHEMBL25202221 0.76 ACVR1 (0.73) ADORA2AADORA1ADORA3ADORA2BACVR1
SCHEMBL5672002 0.74 CHRNA7 (0.54) PDE10ACCNE2CDK4CCND1CCNE1
SCHEMBL5672184 0.74 CHRNA7 (0.54) PDE10ACCNE2CDK4CCND1CCNE1
SCHEMBL31095255 0.72 RAB9A (0.50) ADORA2AADORA1AURKBPDE4DPDE4A
SCHEMBL25513879 0.72 RAB9A (0.50) ADORA2AADORA1AURKBPDE4DPDE4A
SCHEMBL3678922 0.71 ADORA2A (0.70) ADORA2AADORA1ADORA3ADORA2BACVR1
SCHEMBL3678925 0.71 ADORA2A (0.70) ADORA2AADORA1ADORA3ADORA2BACVR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240376117-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-11-14 — — US disclosed
US-12054492-B2 Imidazole-containing inhibitors of ALK2 kinase BIOCRYST PHARMACEUTICALS, INC. (US) 2024-08-06 — — US disclosed
US-20230271975-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2023-08-31 — — US disclosed
US-20230271975-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2023-08-31 — — US disclosed
US-20230271975-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2023-08-31 — — US disclosed
US-11661426-B2 Imidazole-containing inhibitors of ALK2 kinase BIOCRYST PHARMACEUTICALS, INC. (US) 2023-05-30 — — US disclosed
US-11661426-B2 Imidazole-containing inhibitors of ALK2 kinase BIOCRYST PHARMACEUTICALS, INC. (US) 2023-05-30 — — US disclosed
US-11661426-B2 Imidazole-containing inhibitors of ALK2 kinase BIOCRYST PHARMACEUTICALS, INC. (US) 2023-05-30 — — US disclosed
US-20220332723-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2022-10-20 — — US disclosed
EP-3638229-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE Biocryst Pharmaceuticals, Inc. (US) 2020-04-22 — — EP disclosed
WO-2018232094-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE BIOCRYST PHARMACEUTICALS, INC. (US) 2018-12-20 — — 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 (5 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-20230271975-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE ALK, ACVR2B, ACVR2A ADORA2A 3254/4885ADORA1 3027/4885ADORA3 2884/4885
US-11661426-B2 Imidazole-containing inhibitors of ALK2 kinase ALK, ACVR2B, ACVR2A ADORA2A 3254/4885ADORA1 3027/4885ADORA3 2884/4885
US-20240376117-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE ALK, ACVR2B, ACVR2A ADORA2A 3254/4885ADORA1 3027/4885ADORA3 2884/4885
US-20220332723-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE ALK, ACVR2B, ACVR2A ADORA2A 3254/4885ADORA1 3027/4885ADORA3 2884/4885
US-12054492-B2 Imidazole-containing inhibitors of ALK2 kinase ALK, ACVR2B, ACVR2A ADORA2A 3254/4885ADORA1 3027/4885ADORA3 2884/4885

“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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