SCHEMBL25198136

SCHEMBL25198136

O=[N+]([O-])c1cn(-c2ccncc2)cn1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.56
HTR2C P28335 1/20 0.56
HTR2B P41595 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
POLB P06746 1/20 0.35
CDC7 O00311 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34

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
SCHEMBL19031388 0.84 HTR2A (0.57) HTR2AHTR2CHTR2BL3MBTL1MAPT
SCHEMBL10434133 0.81 HTR2A (0.58) HTR2AHTR2CHTR2BL3MBTL1MAPT
SCHEMBL17631815 0.81 HTR2A (0.58) HTR2AHTR2CHTR2BL3MBTL1MAPT
SCHEMBL28372561 0.81 HTR2A (0.55) HTR2AHTR2CHTR2BL3MBTL1MAPT
SCHEMBL25196369 0.81 HTR2A (0.62) HTR2AHTR2CHTR2BL3MBTL1MAPT
SCHEMBL10434136 0.81 HTR2A (0.58) HTR2AHTR2CHTR2BL3MBTL1MAPT
SCHEMBL17632850 0.81 HTR2A (0.58) HTR2AHTR2CHTR2BL3MBTL1MAPT
SCHEMBL25198959 0.81 HTR2A (0.58) HTR2AHTR2CHTR2BL3MBTL1MAPT
SCHEMBL17632576 0.81 CYP2A6 (0.56) HTR2AHTR2CHTR2BMAPT
SCHEMBL9158986 0.80 HTR2A (0.57) HTR2AHTR2CHTR2BL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119060060-A Imidazole-containing ALK2 kinase inhibitors 拜奥克里斯特制药公司 2024-12-03 CN disclosed
US-20240376117-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-11-14 US disclosed
CN-110913855-B Imidazole-containing ALK2 kinase inhibitors 拜奥克里斯特制药公司 2024-09-03 CN 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.