SCHEMBL22140338

SCHEMBL22140338

CC(C)(O)c1ncc(-c2cnc(C(C)(C)O)c(N)c2)cc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
CASP1 P29466 1/20 0.41
AURKA O14965 1/20 0.40
TTK P33981 1/20 0.40
AURKB Q96GD4 1/20 0.40
INCENP Q9NQS7 1/20 0.40
PIK3CD O00329 4/20 0.35
PIK3CA P42336 3/20 0.33
CYP11B2 P19099 1/20 0.33
ALOX5AP P20292 2/20 0.33
FEN1 P39748 1/20 0.33
MAP3K12 Q12852 2/20 0.32
USP7 Q93009 1/20 0.32
MAP3K14 Q99558 1/20 0.32
PIK3CB P42338 3/20 0.31
PGR P06401 1/20 0.31
PIK3CG P48736 2/20 0.31
MTOR P42345 1/20 0.31
SYK P43405 1/20 0.31
MAP3K9 P80192 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
SCHEMBL22140341 0.88 PGR (0.41) MAPTCASP1AURKATTKAURKB
SCHEMBL24131086 0.83 PIK3CD (0.33) MAPTCASP1PIK3CDPIK3CAPIK3CB
SCHEMBL30788039 0.82 NOS3 (0.42) MAPTUHRF1
SCHEMBL24852675 0.82 NOS3 (0.42) MAPTUHRF1
SCHEMBL30788049 0.80 PGR (0.36) CYP11B2PGR
SCHEMBL24852699 0.80 PGR (0.36) CYP11B2PGR
SCHEMBL22140337 0.80 KMT2A (0.41) MAPTAURKAAURKBMAP4K4UHRF1
SCHEMBL30788043 0.80 KMT2A (0.41) MAPTAURKAAURKBMAP4K4UHRF1
SCHEMBL22140342 0.79 PGR (0.38) ALOX5APFEN1USP7PGR
SCHEMBL22140350 0.79 FEN1 (0.36) PIK3CDALOX5APFEN1PIK3CBPGR

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-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 (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-20220127243-A1 COMPOUND FOR USE IN RETINAL DISEASES ALDH1A2, ALDH1A3, NR2E3 MAPT 231/4885CASP1 4338/4885AURKA 4750/4885

“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.