Sugi Predict

Sugi Predict / Compounds / SCHEMBL22085233

SCHEMBL22085233

SCHEMBL22085233

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.42
▸ TSHR P16473 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ PIK3CA P42336 7/20 0.41
▸ L3MBTL1 Q9Y468 4/20 0.35
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ GAA P10253 2/20 0.35
▸ KDM4E B2RXH2 4/20 0.34
▸ LMNA P02545 2/20 0.34
▸ ATM Q13315 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CG P48736 1/20 0.33

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
SCHEMBL22085236 0.88 PIK3CA (0.41) PIK3CA
SCHEMBL22085230 0.83 PIK3CA (0.50) ALDH1A1TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL22085851 0.82 PIK3CA (0.61) ALDH1A1PIK3CAMEN1KMT2AGAA
SCHEMBL22085232 0.76 MAPT (0.47) ALDH1A1TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL22085807 0.74 PIK3CA (0.46) ALDH1A1TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL22087432 0.74 PIK3CA (0.46) ALDH1A1TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL22085239 0.74 ALDH1A1 (0.41) ALDH1A1TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL22085229 0.74 L3MBTL1 (0.43) ALDH1A1TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL24246137 0.73 PIK3CA (0.43) ALDH1A1TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL24246134 0.73 PIK3CA (0.43) ALDH1A1TSHRCYP1A2CYP3A4CYP2C9

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 ALDH1A1 4634/4885TSHR 2388/4885CYP1A2 2826/4885
US-20200181147-A1 MECHANISTIC TARGET OF RAPAMYCIN SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF MTOR, RPTOR, RICTOR ALDH1A1 4634/4885TSHR 2388/4885CYP1A2 2826/4885

“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.