SCHEMBL22085232

SCHEMBL22085232

C[C@@H]1CN(c2nc(-c3ccc(NC(=S)Nc4ccncc4)cc3)nn3cccc23)C[C@H](C)O1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
MTOR P42345 7/20 0.39
PIK3CA P42336 5/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TGFBR1 P36897 5/20 0.37
TGFBR2 P37173 4/20 0.37

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
SCHEMBL22085836 0.91 MTOR (0.47) MAPTMTORPIK3CA
SCHEMBL22085239 0.91 ALDH1A1 (0.41) MTORPIK3CAALDH1A1CYP1A2CYP3A4
SCHEMBL22087026 0.89 MTOR (0.51) MTORPIK3CA
SCHEMBL22085231 0.86 MAPT (0.42) MAPTMTORPIK3CAALDH1A1CYP1A2
SCHEMBL22085163 0.84 PIK3CA (0.56) MTORPIK3CA
SCHEMBL24241916 0.82 MTOR (0.43) MTORPIK3CAALDH1A1CYP1A2CYP3A4
SCHEMBL22087028 0.82 MTOR (0.52) MTORPIK3CA
SCHEMBL22087297 0.81 MTOR (0.53) MTORPIK3CA
SCHEMBL24241896 0.81 MTOR (0.53) MTORPIK3CA
SCHEMBL22085237 0.80 MTOR (0.54) MTORPIK3CA

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 MAPT 1417/4885MTOR 1/4885PIK3CA 20/4885
US-20200181147-A1 MECHANISTIC TARGET OF RAPAMYCIN SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF MTOR, RPTOR, RICTOR MAPT 1417/4885MTOR 1/4885PIK3CA 20/4885

“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.