SCHEMBL22085237

SCHEMBL22085237

S=C(Nc1ccc(-c2nc(N3C[C@H]4CC[C@@H](C3)O4)c3cccn3n2)cc1)Nc1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTOR P42345 17/20 0.54
PIK3CA P42336 14/20 0.54
PIK3R1 P27986 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL22085853 0.91 MTOR (0.65) MTORPIK3CAPIK3R1
SCHEMBL22087026 0.91 MTOR (0.51) MTORPIK3CA
SCHEMBL22085836 0.90 MTOR (0.47) MTORPIK3CAMEN1NPC1RAB9A
SCHEMBL22085161 0.85 MTOR (0.62) MTORPIK3CA
SCHEMBL22085242 0.83 MTOR (0.50) MTORPIK3CA
SCHEMBL24241893 0.82 MTOR (0.51) MTORPIK3CA
SCHEMBL22087028 0.81 MTOR (0.52) MTORPIK3CA
SCHEMBL24241916 0.81 MTOR (0.43) MTORPIK3CA
SCHEMBL22085232 0.80 MAPT (0.47) MTORPIK3CA
SCHEMBL22087031 0.78 PIK3CA (0.58) MTORPIK3CAPIK3R1

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
EP-3475285-B1 MECHANISTIC TARGET OF RAPAMYCIN SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF SUZHOU KINTOR PHARMACEUTICALS INC (CN) 2022-02-09 EP disclosed
US-11242346-B2 Mechanistic target of rapamycin signaling pathway inhibitors and therapeutic applications thereof SUZHOU KINTOR PHARMACEUTICALS, INC. (CN) 2022-02-08 US disclosed
US-20200181147-A1 MECHANISTIC TARGET OF RAPAMYCIN SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF SUZHOU KINTOR PHARMACEUTICALS, INC. (CN) 2020-06-11 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 (2 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-11242346-B2 Mechanistic target of rapamycin signaling pathway inhibitors and therapeutic applications thereof MTOR, RPTOR, RICTOR MTOR 1/4885PIK3CA 20/4885PIK3R1 32/4885
US-20200181147-A1 MECHANISTIC TARGET OF RAPAMYCIN SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF MTOR, RPTOR, RICTOR MTOR 1/4885PIK3CA 20/4885PIK3R1 32/4885

“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.