SCHEMBL21929419

SCHEMBL21929419

CC1(C)OB(c2ccc3nnn(C4CCCCO4)c3c2)OC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.34
HCAR3 P49019 4/20 0.33
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
CCNT1 O60563 2/20 0.33
CDK9 P50750 2/20 0.33
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
RET P07949 1/20 0.32
HIF1A Q16665 1/20 0.32
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
ROCK1 Q13464 1/20 0.30
LPL P06858 1/20 0.30
LIPG Q9Y5X9 1/20 0.30
EGFR P00533 1/20 0.30

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
SCHEMBL30854894 1.00 IRAK4 (0.34) IRAK4HCAR3CYP4F2CYP4A11CCNT1
SCHEMBL21929417 0.91 HCAR3 (0.40) IRAK4HCAR3CYP4F2CYP4A11RET
SCHEMBL30854893 0.91 HCAR3 (0.40) IRAK4HCAR3CYP4F2CYP4A11RET
SCHEMBL2144475 0.80 IRAK4 (0.47) IRAK4CYP4F2CYP4A11IDO1TDO2
SCHEMBL2144879 0.80 CYP2C19 (0.38) IRAK4CYP4F2CYP4A11HIF1AEGFR
SCHEMBL29741019 0.80 IRAK4 (0.47) IRAK4CYP4F2CYP4A11IDO1TDO2
SCHEMBL21932664 0.80 HCAR3 (0.38) HCAR3CYP4F2CYP4A11TDO2RET
SCHEMBL26135051 0.79 IDO1 (0.38) IRAK4CYP4F2CYP4A11IDO1TDO2
SCHEMBL29168327 0.78 DGAT2 (0.36) IRAK4CYP4F2CYP4A11IDO1TDO2
SCHEMBL983350 0.78 RXRA (0.51) IRAK4CYP4F2CYP4A11HIF1ARXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228491-A1 METHIONINE ADENOSYLTRANSFERASE INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SCINNOHUB PHARMACEUTICAL CO., LTD. (CN) 2024-07-11 US disclosed
US-20240228491-A1 METHIONINE ADENOSYLTRANSFERASE INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SCINNOHUB PHARMACEUTICAL CO., LTD. (CN) 2024-07-11 US disclosed
EP-4332101-A1 METHIONINE ADENOSYLTRANSFERASE INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Scinnohub Pharmaceutical Co., Ltd (CN) 2024-03-06 EP disclosed
US-11117899-B2 [1,2,4]triazolo[1,5-c]pyrimidine derivative as A2A receptor inhibitor MEDSHINE DISCOVERY INC. (CN) 2021-09-14 US disclosed
US-11066411-B2 2021-07-20 US disclosed
US-20200131184-A1 [1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE DERIVATIVE AS A2A RECEPTOR INHIBITOR MEDSHINE DISCOVERY INC. (CN) 2020-04-30 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 (4 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-11117899-B2 [1,2,4]triazolo[1,5-c]pyrimidine derivative as A2A receptor inhibitor ADORA2A, ADORA1, ADORA3 IRAK4 2124/4885HCAR3 444/4885CYP4F2 1770/4885
US-11066411-B2 ADORA2A, ADORA1, ADORA2B IRAK4 3263/4885HCAR3 333/4885CYP4F2 939/4885
US-20200131184-A1 [1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE DERIVATIVE AS A2A RECEPTOR INHIBITOR ADORA2A, ADORA1, ADORA3 IRAK4 2124/4885HCAR3 444/4885CYP4F2 1770/4885
US-20240228491-A1 METHIONINE ADENOSYLTRANSFERASE INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF MAT1A, AMD1, MAT2B IRAK4 3799/4885HCAR3 3195/4885CYP4F2 203/4885

“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.