SCHEMBL23487709

SCHEMBL23487709

c1ccc(-c2ccc(-c3ccnc(-c4ccc(-c5ccccc5-c5cc(-c6ccccc6-c6ccccc6)cc(-c6ccccc6-c6ccccc6)c5)cc4)c3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.50
PIK3CA P42336 1/20 0.47
SMO Q99835 2/20 0.47
TGFBR1 P36897 5/20 0.47
PIM1 P11309 1/20 0.44
CDK1 P06493 1/20 0.43
MAPKAPK2 P49137 1/20 0.43
MAPKAPK3 Q16644 1/20 0.43
MAPKAPK5 Q8IW41 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43
MAP4K4 O95819 1/20 0.42
TOP1 P11387 2/20 0.40
PLAU P00749 1/20 0.40
IMPDH2 P12268 1/20 0.40

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
SCHEMBL23956266 0.94 TGFBR1 (0.52) ASIC3PIK3CASMOTGFBR1
SCHEMBL21662273 0.94 TGFBR1 (0.52) ASIC3PIK3CASMOTGFBR1
SCHEMBL28579059 0.89 PIK3CA (0.50) ASIC3PIK3CASMOTGFBR1PIM1
SCHEMBL23487542 0.89 PIK3CA (0.46) ASIC3PIK3CASMOTGFBR1PIM1
SCHEMBL17694751 0.89 ASIC3 (0.61) ASIC3PIK3CASMOTGFBR1PIM1
SCHEMBL29854571 0.89 ASIC3 (0.61) ASIC3PIK3CASMOTGFBR1PIM1
SCHEMBL24291931 0.89 ASIC3 (0.61) ASIC3PIK3CASMOTGFBR1PIM1
SCHEMBL912763 0.87 ASIC3 (0.63) ASIC3SMOTGFBR1PIM1CDK1
SCHEMBL29578028 0.87 ASIC3 (0.63) ASIC3SMOTGFBR1PIM1CDK1
SCHEMBL19933666 0.85 TGFBR1 (0.45) ASIC3SMOTGFBR1PIM1

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 ASIC3 937/4885PIK3CA 4505/4885SMO 4469/4885

“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.