SCHEMBL25200431

SCHEMBL25200431

COc1cccc(-n2cnc([N+](=O)[O-])c2)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.52
NFE2L2 Q16236 2/20 0.52
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
ALDH1A1 P00352 2/20 0.43
PKM P14618 2/20 0.43
NPC1 O15118 2/20 0.43
CASP3 P42574 2/20 0.43
RAB9A P51151 2/20 0.43
SENP7 Q9BQF6 1/20 0.43
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FGFR1 P11362 1/20 0.42
MAPT P10636 1/20 0.41
MGLL Q99685 1/20 0.41
PIN1 Q13526 1/20 0.41
FBP1 P09467 1/20 0.40

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
SCHEMBL31095257 1.00 KEAP1 (0.52) KEAP1NFE2L2HTR2AHTR2CHTR2B
SCHEMBL25194715 0.87 HTR2A (0.48) KEAP1NFE2L2HTR2AHTR2CHTR2B
SCHEMBL25191480 0.84 HTR2A (0.54) HTR2AHTR2CHTR2BALDH1A1PKM
SCHEMBL31095377 0.83 HTR2A (0.43) HTR2AHTR2CHTR2B
SCHEMBL20589417 0.83 HTR2A (0.43) HTR2AHTR2CHTR2B
SCHEMBL25195386 0.82 HTR2A (0.44) KEAP1NFE2L2HTR2AHTR2CHTR2B
SCHEMBL20589447 0.82 HTR2A (0.44) KEAP1NFE2L2HTR2AHTR2CHTR2B
SCHEMBL25194557 0.82 HTR2A (0.44) KEAP1NFE2L2HTR2AHTR2CHTR2B
SCHEMBL31095519 0.82 HTR2A (0.44) KEAP1NFE2L2HTR2AHTR2CHTR2B
SCHEMBL31095433 0.82 HTR2A (0.44) KEAP1NFE2L2HTR2AHTR2CHTR2B

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 6 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-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 KEAP1 3302/4885NFE2L2 1729/4885HTR2A 4075/4885
US-11661426-B2 Imidazole-containing inhibitors of ALK2 kinase ALK, ACVR2B, ACVR2A KEAP1 3302/4885NFE2L2 1729/4885HTR2A 4075/4885
US-20240376117-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE ALK, ACVR2B, ACVR2A KEAP1 3302/4885NFE2L2 1729/4885HTR2A 4075/4885
US-20220332723-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE ALK, ACVR2B, ACVR2A KEAP1 3302/4885NFE2L2 1729/4885HTR2A 4075/4885
US-12054492-B2 Imidazole-containing inhibitors of ALK2 kinase ALK, ACVR2B, ACVR2A KEAP1 3302/4885NFE2L2 1729/4885HTR2A 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.