SCHEMBL25512994

SCHEMBL25512994

NC(=O)c1ccc(-n2cnc(N)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.58
NNMT P40261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MKNK1 Q9BUB5 3/20 0.45
MKNK2 Q9HBH9 3/20 0.45
CFTR P13569 1/20 0.43
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
MAPKAPK2 P49137 2/20 0.38
PARP10 Q53GL7 2/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
PARP15 Q460N3 1/20 0.37
PARP14 Q460N5 1/20 0.37
PARP16 Q8N5Y8 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
Hydrochloric Acid SCHEMBL25193229 0.98 MAP4K4 (0.57) MAP4K4NNMTSMN1; SMN2MKNK1MKNK2
Methyl Alcohol SCHEMBL20590058 0.95 MAP4K4 (0.55) MAP4K4NNMTSMN1; SMN2MKNK1MKNK2
SCHEMBL25513002 0.85 CYP3A4 (0.53) MAP4K4HTR2AHTR2CHTR2BPDE4A
Hydrochloric Acid SCHEMBL25216287 0.83 CYP3A4 (0.51) MAP4K4HTR2AHTR2CHTR2BPDE4A
Methyl Alcohol SCHEMBL25211940 0.82 CYP3A4 (0.50) MAP4K4HTR2AHTR2CHTR2BPDE4A
SCHEMBL3712352 0.81 PDE4A (0.58) MAP4K4MKNK1MKNK2PDE4APDE4B
Hydrochloric Acid SCHEMBL25196157 0.81 PARP1 (0.48) MAP4K4NNMTSMN1; SMN2PARP10KMT2A
Hydrochloric Acid SCHEMBL31095539 0.81 PARP1 (0.48) MAP4K4NNMTSMN1; SMN2PARP10KMT2A
SCHEMBL1797083 0.81 HTT (0.56) MAP4K4ALDH1A1FGFR1MAPTTDP1
Hydrochloric Acid SCHEMBL25211938 0.79 KDM4E (0.44) MAP4K4HTR2AHTR2CHTR2BPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 MAP4K4 131/4885NNMT 2801/4885SMN1; SMN2 989/4885
US-11661426-B2 Imidazole-containing inhibitors of ALK2 kinase ALK, ACVR2B, ACVR2A MAP4K4 131/4885NNMT 2801/4885SMN1; SMN2 989/4885

“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.