SCHEMBL22013966

SCHEMBL22013966

COC(=O)c1nn(COCC[Si](C)(C)C)c2nccc(Cl)c12

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.34
DGAT1 O75907 5/20 0.33
F2RL1 P55085 1/20 0.33
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
S1PR4 O95977 1/20 0.32
MEN1 O00255 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NPC1 O15118 1/20 0.31
F11 P03951 1/20 0.31

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
SCHEMBL30908099 1.00 MAPT (0.35) MAPTHPGDDGAT1F2RL1KMT2A
SCHEMBL26720538 0.80 KMT2A (0.34) MAPTDGAT1F2RL1KMT2AL3MBTL1
SCHEMBL16532464 0.80 CFD (0.41) MAPTDGAT1L3MBTL1NPC1
SCHEMBL29514120 0.79 DGAT1 (0.32) MAPTDGAT1F2RL1
SCHEMBL17837901 0.79 DGAT1 (0.32) MAPTDGAT1F2RL1
SCHEMBL24408306 0.78 ADORA2A (0.32) MAPTDGAT1
SCHEMBL26978390 0.77 BTK (0.39)
SCHEMBL25226076 0.76 NTRK1 (0.33) DGAT1
SCHEMBL21632491 0.76 MERTK (0.37) MAPTPTGDR2NPC1
SCHEMBL18588902 0.75 KMT2A (0.36) MAPTHPGDF2RL1KMT2AALDH1A1

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-20220144827-A1 FIVE-AND-SIX-MEMBERED HETEROCYCLIC COMPOUND AND USE THEREOF AS PROTEIN RECEPTOR KINASE INHIBITOR SHANGHAI ENNOVABIO PHARMACEUTICALS CO., LTD. (CN) 2022-05-12 US disclosed
WO-2020098720-A1 FIVE-AND-SIX-MEMBERED HETEROCYCLIC COMPOUND AND USE THEREOF AS PROTEIN RECEPTOR KINASE INHIBITOR 上海轶诺药业有限公司 2020-05-22 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-20220144827-A1 FIVE-AND-SIX-MEMBERED HETEROCYCLIC COMPOUND AND USE THEREOF AS PROTEIN RECEPTOR KINASE INHIBITOR GRK6, GRK3, ERBB2 MAPT 2101/4885HPGD 2791/4885DGAT1 3470/4885

“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.