SCHEMBL21929417

SCHEMBL21929417

CC1(C)OB(c2ccc3c(c2)nnn3C2CCCCO2)OC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 4/20 0.40
LMNA P02545 2/20 0.35
TSHR P16473 2/20 0.35
ALDH1A1 P00352 2/20 0.35
RXFP1 Q9HBX9 1/20 0.34
TP53 P04637 1/20 0.34
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
GRM5 P41594 1/20 0.33
MAPT P10636 1/20 0.32
POLB P06746 2/20 0.32
RET P07949 1/20 0.32
USP2 O75604 1/20 0.32
HIF1A Q16665 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL30854893 1.00 HCAR3 (0.40) HCAR3LMNATSHRALDH1A1RXFP1
SCHEMBL30854894 0.91 IRAK4 (0.34) HCAR3CYP4F2CYP4A11RXRARXRB
SCHEMBL21929419 0.91 IRAK4 (0.34) HCAR3CYP4F2CYP4A11RXRARXRB
SCHEMBL21932664 0.88 HCAR3 (0.38) HCAR3LMNATSHRALDH1A1RXFP1
SCHEMBL21928803 0.81 HCAR3 (0.32) HCAR3TP53RXRARXRBRXRG
SCHEMBL2144647 0.81 CYP2C19 (0.39) TSHRALDH1A1TP53CYP4F2CYP4A11
SCHEMBL29390069 0.80 RXRA (0.51) LMNAALDH1A1CYP4F2CYP4A11RXRA
SCHEMBL983350 0.80 RXRA (0.51) LMNAALDH1A1CYP4F2CYP4A11RXRA
SCHEMBL20765180 0.79 GAA (0.36) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL31089969 0.79 GAA (0.36) CYP4F2CYP4A11RXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260070880-A1 DYNAMIN ACTIVATORS WALDEN BIOSCIENCES, INC. (US) 2026-03-12 US disclosed
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
US-20240228491-A1 METHIONINE ADENOSYLTRANSFERASE INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SCINNOHUB PHARMACEUTICAL CO., LTD. (CN) 2024-07-11 US disclosed
WO-2024054661-A2 DYNAMIN ACTIVATORS WALDEN BIOSCIENCES (US) 2024-03-14 WO 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 (5 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-20260070880-A1 DYNAMIN ACTIVATORS DNM1, DNM1L, DNM2 HCAR3 2932/4885LMNA 2249/4885TSHR 2846/4885
US-11117899-B2 [1,2,4]triazolo[1,5-c]pyrimidine derivative as A2A receptor inhibitor ADORA2A, ADORA1, ADORA3 HCAR3 444/4885LMNA 3157/4885TSHR 74/4885
US-11066411-B2 ADORA2A, ADORA1, ADORA2B HCAR3 333/4885LMNA 2711/4885TSHR 113/4885
US-20200131184-A1 [1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE DERIVATIVE AS A2A RECEPTOR INHIBITOR ADORA2A, ADORA1, ADORA3 HCAR3 444/4885LMNA 3157/4885TSHR 74/4885
US-20240228491-A1 METHIONINE ADENOSYLTRANSFERASE INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF MAT1A, AMD1, MAT2B HCAR3 3195/4885LMNA 4447/4885TSHR 2186/4885

“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.