SCHEMBL27201549

SCHEMBL27201549

c1ccn2c(C3CNCCN3)cnc2c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 11/20 0.44
FLT3 P36888 2/20 0.41
HDAC4 P56524 1/20 0.40
BMPR1B O00238 1/20 0.39
PDGFRB P09619 1/20 0.39
KDR P35968 1/20 0.39
ACVR1B P36896 1/20 0.39
TGFBR1 P36897 1/20 0.39
TGFBR2 P37173 1/20 0.39
SSTR4 P31391 2/20 0.39
MAPK8 P45983 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
METTL3 Q86U44 1/20 0.38
MIF P14174 1/20 0.38

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
SCHEMBL27201495 0.77 IRAK4 (0.54) IRAK4FLT3HDAC4PDGFRBMAPK8
SCHEMBL27201566 0.76 IRAK4 (0.41) IRAK4FLT3SSTR4
SCHEMBL5762778 0.76 IRAK4 (0.50) IRAK4FLT3HDAC4MAPK8NPSR1
Hydrochloric Acid SCHEMBL947525 0.75 IRAK4 (0.49) IRAK4FLT3HDAC4MAPK8NPSR1
Hydrochloric Acid SCHEMBL26911778 0.75 IRAK4 (0.49) IRAK4FLT3HDAC4MAPK8NPSR1
SCHEMBL27201545 0.74 ADORA3 (0.43) IRAK4FLT3HDAC4SSTR4MAPK8
SCHEMBL25521500 0.69 IRAK4 (0.45) IRAK4FLT3HDAC4KDRNPSR1
SCHEMBL20993216 0.65 DDB1 (0.37)
SCHEMBL20993362 0.65 DDB1 (0.37)
SCHEMBL987383 0.65 DDB1 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240132464-A1 HETEROCYCLIC COMPOUNDS AS E3 LIGASE INHIBITORS ACCUTAR BIOTECHNOLOGY INC. (US) 2024-04-25 US disclosed
WO-2024073502-A1 HETEROCYCLIC COMPOUNDS AS E3 LIGASE INHIBITORS ACCUTAR BIOTECHNOLOGY INC. (US) 2024-04-04 WO 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 (1 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-20240132464-A1 HETEROCYCLIC COMPOUNDS AS E3 LIGASE INHIBITORS GID4, MDM2, XIAP IRAK4 1128/4885FLT3 3098/4885HDAC4 2313/4885

“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.