SCHEMBL22085154

SCHEMBL22085154

c1cncc(-c2nc(N3CCOCC3)c3cccn3n2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.69
ALDH1A1 P00352 3/20 0.58
HTT P42858 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
GBA1 P04062 2/20 0.55
KDM4E B2RXH2 1/20 0.52
JAK2 O60674 1/20 0.49
JAK3 P52333 1/20 0.49
PTK2 Q05397 1/20 0.49
MAP4K4 O95819 1/20 0.48
LRRK2 Q5S007 1/20 0.45
PIK3CB P42338 2/20 0.43
PIK3CG P48736 2/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL22085148 0.88 PIK3CA (0.74) PIK3CAALDH1A1HTTSMN1; SMN2GBA1
SCHEMBL22085160 0.86 PIK3CA (0.69) PIK3CAALDH1A1HTTSMN1; SMN2JAK2
SCHEMBL22085155 0.86 PIK3CA (0.72) PIK3CAALDH1A1HTTSMN1; SMN2KDM4E
SCHEMBL22085810 0.81 MTOR (0.66) PIK3CAPIK3CGMTORPIK3CD
SCHEMBL22085157 0.81 PIK3CA (0.55) PIK3CAPIK3CGMTORPIK3CD
SCHEMBL22085161 0.81 MTOR (0.62) PIK3CAPIK3CGMTORPIK3CD
SCHEMBL22087275 0.81 PIK3CA (1.00) PIK3CAPIK3CBPIK3CGMTORPIK3CD
SCHEMBL16727862 0.81 PIK3CA (0.75) PIK3CAALDH1A1MAP4K4MTORPIK3CD
SCHEMBL16727869 0.77 PIK3CA (0.60) PIK3CALRRK2PIK3CGMTORPIK3CD
SCHEMBL22085147 0.75 PIK3CA (0.60) PIK3CAALDH1A1KDM4EJAK2JAK3

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 PIK3CA 20/4885ALDH1A1 4634/4885HTT 1925/4885
US-20200181147-A1 MECHANISTIC TARGET OF RAPAMYCIN SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF MTOR, RPTOR, RICTOR PIK3CA 20/4885ALDH1A1 4634/4885HTT 1925/4885

“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.