SCHEMBL25200436

SCHEMBL25200436

O=[N+]([O-])c1cn(-c2cccc(CO)c2)cn1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
TAAR1 Q96RJ0 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ABL1 P00519 1/20 0.38
EGFR P00533 1/20 0.38
CDK1 P06493 1/20 0.38
SRC P12931 1/20 0.38
ABL2 P42684 1/20 0.38
CFTR P13569 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
ALOX5 P09917 1/20 0.36
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
PRKCI P41743 1/20 0.35

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
SCHEMBL31095502 1.00 HTR2A (0.47) HTR2AHTR2CHTR2BTAAR1MEN1
SCHEMBL15976503 0.86 HTR2A (0.47) HTR2AHTR2CHTR2BTAAR1L3MBTL1
SCHEMBL25200419 0.83 HTR2A (0.58) HTR2AHTR2CHTR2BTAAR1L3MBTL1
SCHEMBL4166591 0.79 HTR2A (0.47) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL25215053 0.79 HTR2A (0.47) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL31095263 0.79 HTR2A (0.47) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL25196522 0.78 HTR2A (0.53) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL31095569 0.78 HTR2A (0.53) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL19031388 0.78 HTR2A (0.57) HTR2AHTR2CHTR2BTAAR1MEN1
SCHEMBL20589775 0.77 HTR2A (0.52) HTR2AHTR2CHTR2BMEN1KMT2A

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 8 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-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
CN-110913855-A Imidazole-containing ALK2 kinase inhibitors 拜奥克里斯特制药公司 2020-03-24 CN 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 HTR2A 4075/4885HTR2C 3935/4885HTR2B 3683/4885
US-11661426-B2 Imidazole-containing inhibitors of ALK2 kinase ALK, ACVR2B, ACVR2A HTR2A 4075/4885HTR2C 3935/4885HTR2B 3683/4885
US-20240376117-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE ALK, ACVR2B, ACVR2A HTR2A 4075/4885HTR2C 3935/4885HTR2B 3683/4885
US-20220332723-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE ALK, ACVR2B, ACVR2A HTR2A 4075/4885HTR2C 3935/4885HTR2B 3683/4885
US-12054492-B2 Imidazole-containing inhibitors of ALK2 kinase ALK, ACVR2B, ACVR2A HTR2A 4075/4885HTR2C 3935/4885HTR2B 3683/4885

“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.