SCHEMBL21549969

SCHEMBL21549969

CCn1cc(C(=O)OC)c2ccc(Br)cc21

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.66
PRPS1 P60891 2/20 0.55
LMNA P02545 3/20 0.55
BRD4 O60885 1/20 0.53
GAA P10253 1/20 0.49
KRAS P01116 1/20 0.45
CNR1 P21554 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
TSHR P16473 2/20 0.44
CNR2 P34972 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL35211208 1.00 NR4A2 (0.66) NR4A2PRPS1LMNABRD4GAA
SCHEMBL31211717 0.89 NR4A2 (0.66) NR4A2PRPS1LMNABRD4GAA
SCHEMBL2083974 0.88 PRPS1 (0.60) NR4A2PRPS1LMNAGAACNR1
SCHEMBL2081693 0.85 PRPS1 (0.58) NR4A2PRPS1LMNAGAACNR1
SCHEMBL2080591 0.84 PRPS1 (0.57) NR4A2PRPS1LMNABRD4GAA
SCHEMBL2081860 0.83 PRPS1 (0.56) NR4A2PRPS1LMNAGAAKRAS
SCHEMBL497718 0.81 NR4A2 (0.63) NR4A2PRPS1LMNABRD4L3MBTL1
SCHEMBL25742125 0.81 LMNA (0.47) NR4A2PRPS1LMNACNR1L3MBTL1
SCHEMBL16115897 0.81 NR4A2 (0.51) NR4A2PRPS1LMNABRD4GAA
SCHEMBL25742128 0.80 LMNA (0.46) NR4A2PRPS1LMNACNR1L3MBTL1

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-20260125391-A1 PYRIMIDINE INDOLES AS CDK4 INHIBITORS INCYTE CORP (US) 2026-05-07 US disclosed
CN-110452235-B Fluorine-containing isoxazole compound and preparation method, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2023-02-17 CN disclosed
WO-2019214656-A1 FLUORINE-CONTAINING ISOXAZOLE COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 中国科学院上海药物研究所 (CN) 2019-11-14 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-20260125391-A1 PYRIMIDINE INDOLES AS CDK4 INHIBITORS CDK4, CCNA1, CCNO NR4A2 179/4885PRPS1 2080/4885LMNA 1949/4885

“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.