SCHEMBL21816655

SCHEMBL21816655

Cc1cn(C)c2cc(B3OC(C)(C)C(C)(C)O3)ccc12

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.41
LPL P06858 13/20 0.39
LIPG Q9Y5X9 13/20 0.39
CSF1R P07333 1/20 0.38
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
FFAR1 O14842 1/20 0.35
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL20186942 0.88 LPL (0.39) IRAK4LPLLIPGCSF1RPRMT5
SCHEMBL29856116 0.88 LPL (0.39) IRAK4LPLLIPGCSF1RPRMT5
SCHEMBL21816690 0.85 LPL (0.45) IRAK4LPLLIPGCSF1RPRMT5
SCHEMBL27080292 0.80 ALDH1A1 (0.51) IRAK4LPLLIPGCSF1RPRMT5
SCHEMBL15947140 0.79 LPL (0.44) IRAK4LPLLIPGCSF1RPRMT5
SCHEMBL18239899 0.79 IRAK4 (0.36) IRAK4LPLLIPGCSF1RCA1
SCHEMBL2430729 0.78 LIPG (0.38) IRAK4LPLLIPGCSF1RPRMT5
SCHEMBL35210916 0.76 NR4A2 (0.52) CSF1R
SCHEMBL31452590 0.75 LPL (0.38) IRAK4LPLLIPGCSF1RPRMT5
SCHEMBL31651744 0.75 ADORA2A (0.46) IRAK4LPLLIPGCSF1RPRMT5

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-11352352-B2 Aminopyrimidine compound, preparation method therefor and use thereof Beijing Adamadle Biotechnology Limited Liability Company (CN) 2022-06-07 US disclosed
EP-3640248-A1 AMINOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Beijing Adamadle Biotechnology Limited Liability Company (CN) 2020-04-22 EP disclosed
US-20200087296-A1 AMINOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Beijing Adamadle Biotechnology Limited Liability Company (CN) 2020-03-19 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-20200087296-A1 AMINOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF WEE1, WEE2, EGFR IRAK4 952/4885LPL 4415/4885LIPG 3839/4885
US-11352352-B2 Aminopyrimidine compound, preparation method therefor and use thereof WEE1, WEE2, EGFR IRAK4 952/4885LPL 4415/4885LIPG 3839/4885

“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.