SCHEMBL22140341

SCHEMBL22140341

CC(C)(O)c1ccc(-c2cnc(C(C)(C)O)c(N)c2)cc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.41
MAPT P10636 1/20 0.37
CASP1 P29466 1/20 0.37
AURKA O14965 1/20 0.36
TTK P33981 1/20 0.36
AURKB Q96GD4 1/20 0.36
INCENP Q9NQS7 1/20 0.36
ALOX5AP P20292 3/20 0.36
FEN1 P39748 1/20 0.36
PIK3CD O00329 3/20 0.36
USP7 Q93009 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAP4K4 O95819 5/20 0.32
MINK1 Q8N4C8 1/20 0.32
TNIK Q9UKE5 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 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
SCHEMBL22140338 0.88 MAPT (0.41) PGRMAPTCASP1AURKATTK
SCHEMBL25566319 0.79 MAPT (0.34) PGRMAPTCASP1AURKATTK
SCHEMBL25910716 0.78 ALDH1A1 (0.48) MAPTCASP1AURKATTKAURKB
SCHEMBL24131086 0.76 PIK3CD (0.33) MAPTCASP1PIK3CDPIK3CA
SCHEMBL22140342 0.76 PGR (0.38) PGRALOX5APFEN1USP7KDM4E
SCHEMBL22140350 0.76 FEN1 (0.36) PGRALOX5APFEN1PIK3CDMAP4K4
SCHEMBL25566381 0.73 PIK3CD (0.32) PIK3CDPIK3CA
SCHEMBL24852675 0.72 NOS3 (0.42) MAPTTDP1KDM4EALDH1A1GAA
SCHEMBL30788039 0.72 NOS3 (0.42) MAPTTDP1KDM4EALDH1A1GAA
SCHEMBL24852699 0.70 PGR (0.36) PGRTDP1ALDH1A1

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-20230365503-A1 CRYSTAL FORM OF PYRIDINYLPHENYL COMPOUND AND PREPARATION METHOD THEREFOR ZHUHAI UNITED LABORATORIES CO., LTD. (CN) 2023-11-16 US disclosed
US-20230365503-A1 CRYSTAL FORM OF PYRIDINYLPHENYL COMPOUND AND PREPARATION METHOD THEREFOR ZHUHAI UNITED LABORATORIES CO., LTD. (CN) 2023-11-16 US disclosed
EP-4219451-A1 CRYSTAL FORM OF PYRIDINYLPHENYL COMPOUND AND PREPARATION METHOD THEREFOR Zhuhai United Laboratories Co., Ltd. (CN) 2023-08-02 EP disclosed
US-20220127243-A1 COMPOUND FOR USE IN RETINAL DISEASES ZHUHAI UNITED LABORATORIES CO., LTD. (CN) 2022-04-28 US disclosed
EP-3901138-A1 COMPOUND FOR USE IN RETINAL DISEASES Medshine Discovery Inc. (CN) 2021-10-27 EP disclosed
WO-2020125659-A1 COMPOUND FOR USE IN RETINAL DISEASES 南京明德新药研发有限公司 2020-06-25 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 (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-20230365503-A1 CRYSTAL FORM OF PYRIDINYLPHENYL COMPOUND AND PREPARATION METHOD THEREFOR FARS2, CYP4F11, CYP4F8 PGR 1020/4885MAPT 514/4885CASP1 281/4885
US-20220127243-A1 COMPOUND FOR USE IN RETINAL DISEASES ALDH1A2, ALDH1A3, NR2E3 PGR 4341/4885MAPT 231/4885CASP1 4338/4885

“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.