SCHEMBL22085802

SCHEMBL22085802

c1cc2c(N3CCOCC3)nc(-c3ccc4[nH]ncc4c3)nn2c1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 9/20 0.66
PIK3CD O00329 1/20 0.54
PIK3CG P48736 1/20 0.54
GRIA1 P42261 7/20 0.48
ROCK2 O75116 3/20 0.48
ROCK1 Q13464 2/20 0.48
PKN2 Q16513 2/20 0.48
PKN1 Q16512 1/20 0.48
CYP2C9 P11712 1/20 0.47
CACNG2 Q9Y698 1/20 0.47
TGFBR1 P36897 1/20 0.44
PRKCH P24723 1/20 0.44
PRKCQ Q04759 1/20 0.44
MAP4K4 O95819 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
SCHEMBL22085801 0.84 MTOR (0.56) PIK3CAPIK3CDPIK3CGROCK2TGFBR1
SCHEMBL22087432 0.83 PIK3CA (0.46) PIK3CAPIK3CDPIK3CGROCK2ROCK1
SCHEMBL22087294 0.83 PIK3CA (0.46) PIK3CAPIK3CDPIK3CGROCK2ROCK1
SCHEMBL22085807 0.83 PIK3CA (0.46) PIK3CAPIK3CDPIK3CGROCK2ROCK1
SCHEMBL22087274 0.79 PIK3CA (1.00) PIK3CAPIK3CDPIK3CG
SCHEMBL22085155 0.78 PIK3CA (0.72) PIK3CAMAP4K4
SCHEMBL22085148 0.78 PIK3CA (0.74) PIK3CAMAP4K4
SCHEMBL16727862 0.78 PIK3CA (0.75) PIK3CAPIK3CDMAP4K4
SCHEMBL22085248 0.78 PIK3CA (0.62) PIK3CAPIK3CDPIK3CGGRIA1MAP4K4
SCHEMBL22085160 0.76 PIK3CA (0.69) PIK3CAPIK3CDPIK3CGMAP4K4

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 20/4885PIK3CD 27/4885PIK3CG 51/4885
US-20200181147-A1 MECHANISTIC TARGET OF RAPAMYCIN SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF MTOR, RPTOR, RICTOR PIK3CA 20/4885PIK3CD 27/4885PIK3CG 51/4885

“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.