SCHEMBL60361

SCHEMBL60361

Cc1nc(N2CC3CCC(C2)O3)c2cnn(C3CCC4(CC3)OCCO4)c2n1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.62
MTOR P42345 20/20 0.62
PIK3CD O00329 1/20 0.62
PIK3R1 P27986 1/20 0.62
SMG1 Q96Q15 1/20 0.62
PIK3CB P42338 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
SCHEMBL54371 0.88 PIK3CA (0.60) PIK3CAMTORPIK3CDPIK3R1SMG1
SCHEMBL61796 0.84 PIK3CA (0.50) PIK3CAMTORPIK3CDPIK3R1SMG1
SCHEMBL30151212 0.83 PIK3CA (0.55) PIK3CAMTORPIK3CDPIK3R1SMG1
SCHEMBL60884 0.83 PIK3CA (0.47) PIK3CAMTORPIK3CDPIK3R1SMG1
SCHEMBL60917 0.83 PIK3CA (0.61) PIK3CAMTORPIK3CDPIK3R1SMG1
SCHEMBL61392 0.82 PIK3CA (0.61) PIK3CAMTORPIK3CDPIK3R1SMG1
SCHEMBL3657124 0.82 PIK3CA (0.70) PIK3CAMTORPIK3CDPIK3R1SMG1
SCHEMBL54445 0.82 PIK3CA (0.72) PIK3CAMTORPIK3CDPIK3R1SMG1
Methyl Alcohol SCHEMBL3658444 0.80 PIK3CA (0.84) PIK3CAMTORPIK3CDPIK3R1SMG1
SCHEMBL3656780 0.80 PIK3CA (0.87) PIK3CAMTORPIK3CDPIK3R1SMG1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129371-B2 Thienopyrimidine and pyrazolopyrimidine compounds and their use as mTOR kinase and PI3 kinase inhibitors WYETH LLC (US) 2012-03-06 US disclosed
US-20090098086-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2009-04-16 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 (1 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-20090098086-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PIK3CD PIK3CA 2/4885MTOR 1/4885PIK3CD 3/4885

“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.