SCHEMBL22085147

SCHEMBL22085147

c1cc2c(N3CCOCC3)nc(N3CCOCC3)nn2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.60
MAP4K4 O95819 1/20 0.58
HTR1A P08908 1/20 0.48
HTR2C P28335 1/20 0.48
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
POLB P06746 1/20 0.46
PIK3R1 P27986 2/20 0.43
MET P08581 1/20 0.43
PIK3CB P42338 2/20 0.43
PIK3CD O00329 1/20 0.43
PIK3CG P48736 1/20 0.43
HDAC1 Q13547 1/20 0.42
MAPK1 P28482 1/20 0.41
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
PTK2 Q05397 1/20 0.41

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
SCHEMBL22085187 0.90 PIK3CA (0.54) PIK3CAMAP4K4HTR1AHTR2CKDM4E
SCHEMBL22086986 0.84 PIK3CA (0.58) PIK3CAMAP4K4HTR1AHTR2CKDM4E
SCHEMBL22085180 0.84 PIK3CA (0.58) PIK3CAMAP4K4HTR1AHTR2CKDM4E
SCHEMBL22085166 0.84 PIK3CA (0.58) PIK3CAMAP4K4HTR1AHTR2CKDM4E
SCHEMBL22085155 0.80 PIK3CA (0.72) PIK3CAMAP4K4KDM4EALDH1A1GLA
SCHEMBL22085160 0.78 PIK3CA (0.69) PIK3CAMAP4K4HTR1AHTR2CALDH1A1
SCHEMBL22085148 0.77 PIK3CA (0.74) PIK3CAMAP4K4HTR1AHTR2CALDH1A1
SCHEMBL16727862 0.77 PIK3CA (0.75) PIK3CAMAP4K4HTR1AHTR2CALDH1A1
SCHEMBL22085154 0.75 PIK3CA (0.69) PIK3CAMAP4K4KDM4EALDH1A1PIK3CB
SCHEMBL22087275 0.75 PIK3CA (1.00) PIK3CAPIK3CBPIK3CDPIK3CG

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 20/4885MAP4K4 170/4885HTR1A 3797/4885
US-20200181147-A1 MECHANISTIC TARGET OF RAPAMYCIN SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF MTOR, RPTOR, RICTOR PIK3CA 20/4885MAP4K4 170/4885HTR1A 3797/4885

“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.