SCHEMBL30705231

SCHEMBL30705231

c1cc2nc(N3C[C@H]4C[C@@H]3CO4)ccn2n1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 16/20 0.43
PDE10A Q9Y233 1/20 0.41
MAP3K13 O43283 1/20 0.39
DLK1 P80370 1/20 0.38
PRKDC P78527 1/20 0.37
LRRK2 Q5S007 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
SCHEMBL29768061 1.00 MAP3K12 (0.43) MAP3K12PDE10AMAP3K13DLK1PRKDC
SCHEMBL21997512 0.76 MAP3K12 (0.40) MAP3K12MAP3K13DLK1
SCHEMBL21997300 0.76 MAP3K12 (0.40) MAP3K12MAP3K13DLK1
SCHEMBL21996677 0.74 IRAK4 (0.46)
SCHEMBL25987203 0.74 IRAK4 (0.46)
SCHEMBL23945834 0.74 IRAK4 (0.46)
SCHEMBL21996976 0.74 IRAK4 (0.46)
SCHEMBL21997814 0.74 IRAK4 (0.46)
SCHEMBL30267251 0.74 DYRK1A (0.33)
SCHEMBL23807999 0.73 NTRK1 (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240368194-A1 IRAK4 DEGRADATION AGENT, AND PREPARATION METHOD THEREFOR AND USE THEREOF LEADINGTAC PHARMACEUTICAL (SHAOXING) CO., LTD. (CN) 2024-11-07 US disclosed
EP-4393922-A1 IRAK4 DEGRADATION AGENT, AND PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Leadingtac Pharmaceutical Co. Ltd. (CN) 2024-07-03 EP disclosed
US-20230406866-A1 CRYSTALLINE FORMS OF IRAK DEGRADERS KYMERA THERAPEUTICS, INC. 2023-12-21 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-20230406866-A1 CRYSTALLINE FORMS OF IRAK DEGRADERS IRAK1, IRAK2, IRAK4 MAP3K12 369/4885PDE10A 4064/4885MAP3K13 297/4885
US-20240368194-A1 IRAK4 DEGRADATION AGENT, AND PREPARATION METHOD THEREFOR AND USE THEREOF IRAK4, IRAK2, IRAK1 MAP3K12 286/4885PDE10A 3347/4885MAP3K13 228/4885

“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.