SCHEMBL22087294

SCHEMBL22087294

c1cc2c(N3C[C@H]4CC[C@@H](C3)O4)nc(-c3ccc4[nH]ncc4c3)nn2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.46
MTOR P42345 4/20 0.42
TGFBR1 P36897 1/20 0.42
ROCK2 O75116 7/20 0.41
ROCK1 Q13464 3/20 0.41
PKN2 Q16513 3/20 0.41
PKN1 Q16512 1/20 0.41
SYK P43405 1/20 0.38
PRKCH P24723 1/20 0.38
PRKCQ Q04759 1/20 0.38
GSK3B P49841 3/20 0.38
PIM1 P11309 2/20 0.38
AURKB Q96GD4 2/20 0.38
JAK2 O60674 1/20 0.38
PAK4 O96013 1/20 0.38
KDR P35968 1/20 0.38
LRRK2 Q5S007 1/20 0.38
DYRK3 O43781 1/20 0.38
CLK1 P49759 1/20 0.38
CLK2 P49760 1/20 0.38

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
SCHEMBL22087432 0.88 PIK3CA (0.46) PIK3CATGFBR1ROCK2ROCK1PKN2
SCHEMBL22085807 0.88 PIK3CA (0.46) PIK3CATGFBR1ROCK2ROCK1PKN2
SCHEMBL22085802 0.83 PIK3CA (0.66) PIK3CATGFBR1ROCK2ROCK1PKN2
SCHEMBL22085235 0.79 MTOR (0.54) PIK3CAMTOR
SCHEMBL16727863 0.79 MTOR (0.54) PIK3CAMTOR
SCHEMBL22085864 0.76 PIK3CA (0.43) PIK3CAMTOR
SCHEMBL22085801 0.76 MTOR (0.56) PIK3CAMTORTGFBR1ROCK2PIK3CD
SCHEMBL22085236 0.74 PIK3CA (0.41) PIK3CAMTOR
SCHEMBL24246032 0.71 PIK3CA (0.36) PIK3CAMTORTGFBR1
SCHEMBL22085234 0.71 PIK3CA (0.36) PIK3CAMTORTGFBR1

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 20/4885MTOR 1/4885TGFBR1 1899/4885
US-20200181147-A1 MECHANISTIC TARGET OF RAPAMYCIN SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF MTOR, RPTOR, RICTOR PIK3CA 20/4885MTOR 1/4885TGFBR1 1899/4885

“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.