SCHEMBL19295142

SCHEMBL19295142

CC1(C)c2ccc(-c3ccc(-c4nc(N5CCOCC5)nc(N5CCOCC5)n4)cn3)cc2C(C)(C)C1(C)C

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.55
MTOR P42345 14/20 0.55
PIK3R1 P27986 8/20 0.55
PIK3CG P48736 4/20 0.42
PIK3CD O00329 2/20 0.42
PIK3CB P42338 2/20 0.42
MAP3K12 Q12852 1/20 0.42

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
SCHEMBL17486262 0.94 PIK3CA (0.48) PIK3CAMTORPIK3R1PIK3CGPIK3CD
SCHEMBL17486096 0.90 PIK3CA (0.41) PIK3CAMTORPIK3R1
SCHEMBL17486266 0.83 HSD17B10 (0.37) PIK3CAMTORPIK3R1
SCHEMBL17486137 0.82 MTOR (0.39) PIK3CAMTORPIK3R1
SCHEMBL17486039 0.81 PIK3CA (0.36) PIK3CAMTORPIK3R1
SCHEMBL17486094 0.79 PIK3CA (0.38) PIK3CAMTORPIK3R1
SCHEMBL17486227 0.77 HSD17B1 (0.41)
SCHEMBL17486104 0.76 TUBB4A (0.33)
SCHEMBL17486244 0.76 HSD17B1 (0.40)
SCHEMBL17486300 0.76 MEN1 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3174890-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-03-13 EP disclosed
US-9853228-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-26 US disclosed
US-9853228-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-26 US disclosed
US-20170250353-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-08-31 US disclosed
US-20170250353-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-08-31 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-20170250353-A1 METAL COMPLEXES SOD1, AP1M1, AP3M1 PIK3CA 3950/4885MTOR 4584/4885PIK3R1 4652/4885

“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.