SCHEMBL25112780

SCHEMBL25112780

c1ccc2ncc(-c3ccc4cc(-c5cc6ccc7cccc8c9cccc%10ccc%11cccc(c(c5)c6c78)c%11c%109)ccc4c3)cc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BIRC5 O15392 1/20 0.52
PIK3CA P42336 5/20 0.51
PIK3CD O00329 4/20 0.51
MTOR P42345 4/20 0.51
PIK3CB P42338 2/20 0.51
PIK3CG P48736 2/20 0.51
PDGFRB P09619 3/20 0.49
PDGFRA P16234 3/20 0.49
MAP4K4 O95819 1/20 0.47
CSNK1G2 P78368 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
MAP4K5 Q9Y4K4 1/20 0.47
CYP2A6 P11509 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44

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
SCHEMBL25112883 0.87 BIRC5 (0.48) BIRC5PIK3CAPIK3CDMTORPIK3CB
SCHEMBL12899498 0.85 BIRC5 (0.49) BIRC5PIK3CAPIK3CDMTORPIK3CB
SCHEMBL25112778 0.84 POLB (0.62) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL25112600 0.82 MET (0.46) BIRC5PIK3CAPIK3CDMTORPIK3CB
SCHEMBL25112729 0.81 PIK3CD (0.44) BIRC5PIK3CAPIK3CDMTORPIK3CB
SCHEMBL25112675 0.81 BIRC5 (0.42) BIRC5PIK3CAPIK3CDMTORPIK3CB
SCHEMBL25112830 0.80 CCR1 (0.46) MTORMAP4K4MKNK2CYP1A2ERBB2
SCHEMBL17854717 0.79 BIRC5 (0.62) BIRC5PIK3CAPIK3CDMTORPIK3CB
SCHEMBL25112888 0.79 POLB (0.54) BIRC5PIK3CAPIK3CDMTORPIK3CB
SCHEMBL25112843 0.79 KDM4E (0.41) CYP1A2ERBB2FYNMAOAACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230085328-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-03-16 US 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-20230085328-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE L1CAM, PIEZO1, LEF1 BIRC5 4424/4885PIK3CA 4333/4885PIK3CD 4690/4885

“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.