SCHEMBL25214611

SCHEMBL25214611

COc1ccc(-n2cnc([N+](=O)[O-])c2)cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
PKM P14618 1/20 0.46
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
MAPT P10636 3/20 0.42
LMNA P02545 3/20 0.42
HTT P42858 1/20 0.42
AR P10275 2/20 0.39
ABCG2 Q9UNQ0 1/20 0.38
ACVR1 Q04771 1/20 0.37
PTGES O14684 1/20 0.37
SIRT6 Q8N6T7 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
S1PR4 O95977 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL31095362 0.85 ALDH1A1 (0.51) ALDH1A1PKMHTR2AHTR2CHTR2B
SCHEMBL25196835 0.85 ALDH1A1 (0.51) ALDH1A1PKMHTR2AHTR2CHTR2B
SCHEMBL25197267 0.79 ALDH1A1 (0.46) ALDH1A1PKMHTR2AHTR2CHTR2B
SCHEMBL25206092 0.79 ACVR1 (0.40) HTR2AHTR2CHTR2BACVR1MAOA
SCHEMBL31095351 0.79 HTR2A (0.48) ALDH1A1PKMHTR2AHTR2CHTR2B
SCHEMBL20589712 0.79 HTR2A (0.48) ALDH1A1PKMHTR2AHTR2CHTR2B
SCHEMBL4425545 0.77 NOTUM (0.40)
SCHEMBL25194605 0.76 HTR2A (0.43) ALDH1A1PKMHTR2AHTR2CHTR2B
SCHEMBL25203794 0.76 HTR2A (0.46) ALDH1A1PKMHTR2AHTR2CHTR2B
SCHEMBL25214648 0.76 HTR2A (0.43) ALDH1A1PKMHTR2AHTR2CHTR2B

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
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-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 ALDH1A1 980/4885PKM 521/4885HTR2A 4075/4885
US-11661426-B2 Imidazole-containing inhibitors of ALK2 kinase ALK, ACVR2B, ACVR2A ALDH1A1 980/4885PKM 521/4885HTR2A 4075/4885
US-20240376117-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE ALK, ACVR2B, ACVR2A ALDH1A1 980/4885PKM 521/4885HTR2A 4075/4885
US-20220332723-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE ALK, ACVR2B, ACVR2A ALDH1A1 980/4885PKM 521/4885HTR2A 4075/4885
US-12054492-B2 Imidazole-containing inhibitors of ALK2 kinase ALK, ACVR2B, ACVR2A ALDH1A1 980/4885PKM 521/4885HTR2A 4075/4885

“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.