SCHEMBL55752

SCHEMBL55752

Nc1ncc(-c2nc(N3CC4CCC(C3)O4)c3sccc3n2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTOR P42345 18/20 1.00
PIK3CA P42336 18/20 1.00
PRKCI P41743 1/20 0.50
PIK3CB P42338 1/20 0.45
PIK3R1 P27986 1/20 0.42
RICTOR Q6R327 1/20 0.42
RPTOR Q8N122 1/20 0.42
MAPKAP1 Q9BPZ7 1/20 0.42
MLST8 Q9BVC4 1/20 0.42

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
SCHEMBL55500 0.89 MTOR (1.00) MTORPIK3CAPRKCIPIK3R1RICTOR
SCHEMBL55812 0.86 MTOR (1.00) MTORPIK3CAPRKCI
SCHEMBL3659896 0.82 MTOR (0.76) MTORPIK3CAPRKCI
SCHEMBL55958 0.82 MTOR (1.00) MTORPIK3CAPRKCIPIK3CB
SCHEMBL4436841 0.81 PIK3CA (1.00) MTORPIK3CAPIK3CBPIK3R1
SCHEMBL4440801 0.79 PIK3CA (0.72) MTORPIK3CAPRKCIPIK3CBPIK3R1
SCHEMBL55723 0.78 PIK3CA (1.00) MTORPIK3CAPIK3CB
SCHEMBL4445534 0.77 PIK3CA (0.69) MTORPIK3CAPRKCIPIK3CB
SCHEMBL27953638 0.77 PIK3CA (0.69) MTORPIK3CAPRKCIPIK3CB
SCHEMBL4447481 0.77 PIK3CA (0.69) MTORPIK3CAPRKCIPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2212333-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS Wyeth LLC (US) 2010-08-04 EP claimed
WO-2009052145-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2009-04-23 WO claimed
US-20090098086-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2009-04-16 US claimed
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
EP-2212333-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS Wyeth LLC (US) 2010-08-04 EP disclosed
WO-2009052145-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2009-04-23 WO 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 MTOR 1/4885PIK3CA 2/4885PRKCI 359/4885

“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.