SCHEMBL23487542

SCHEMBL23487542

c1ccc(-c2ccccc2-c2cc(-c3ccccc3-c3ccccc3)cc(-c3ccccc3-c3ccc(-c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)ccn4)cc3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.46
ASIC3 Q9UHC3 1/20 0.44
TGFBR1 P36897 6/20 0.42
PRKDC P78527 2/20 0.40
SMO Q99835 2/20 0.40
PIM1 P11309 1/20 0.40
CDK1 P06493 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
MAPKAPK3 Q16644 1/20 0.39
MAPKAPK5 Q8IW41 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
IMPDH2 P12268 1/20 0.38
MAP4K4 O95819 1/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
TOP1 P11387 1/20 0.36

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
SCHEMBL23487709 0.89 ASIC3 (0.50) PIK3CAASIC3TGFBR1SMOPIM1
SCHEMBL25105698 0.86 PIK3CA (0.45) PIK3CAASIC3TGFBR1PRKDCSMO
SCHEMBL21207992 0.86 PIK3CA (0.45) PIK3CAASIC3TGFBR1PRKDCSMO
SCHEMBL17229036 0.85 PIK3CA (0.47) PIK3CAASIC3TGFBR1PRKDCSMO
SCHEMBL17229046 0.85 PIK3CA (0.47) PIK3CAASIC3TGFBR1PRKDCSMO
SCHEMBL23487540 0.84 PIM1 (0.40) PIK3CAASIC3TGFBR1PRKDCSMO
SCHEMBL23487645 0.84 ALDH1A1 (0.42) PIK3CAASIC3TGFBR1PRKDCSMO
SCHEMBL17115687 0.84 ASIC3 (0.41) PIK3CAASIC3TGFBR1SMOPIM1
SCHEMBL21662273 0.83 TGFBR1 (0.52) PIK3CAASIC3TGFBR1SMOMAPT
SCHEMBL23956266 0.83 TGFBR1 (0.52) PIK3CAASIC3TGFBR1SMOMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230056324-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2023-02-23 US disclosed
WO-2021110720-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2021-06-10 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-20230056324-A1 METAL COMPLEXES MCU, IMMT, SOD1 PIK3CA 4505/4885ASIC3 937/4885TGFBR1 3596/4885

“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.