SCHEMBL55757

SCHEMBL55757

Clc1nc(N2CC3CCC(C2)O3)c2cn[nH]c2n1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.40
AKT2 P31751 2/20 0.37
GRM4 Q14833 2/20 0.37
SGK1 O00141 12/20 0.36
PLK4 O00444 1/20 0.35
PAK4 O96013 1/20 0.35
PIK3CA P42336 1/20 0.34
PDE2A O00408 1/20 0.33

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
SCHEMBL61800 0.84 MTOR (0.40) MTORAKT2GRM4SGK1PLK4
SCHEMBL24672317 0.82 AKT2 (0.38) AKT2SGK1PLK4PAK4PDE2A
SCHEMBL31107020 0.81 SGK1 (0.38) AKT2SGK1PLK4PAK4PDE2A
SCHEMBL24955620 0.81 SGK1 (0.38) AKT2SGK1PLK4PAK4PDE2A
SCHEMBL3984786 0.76 PIK3CA (0.49) MTORAKT2SGK1PIK3CA
SCHEMBL22449820 0.74 MTOR (0.44) MTORGRM4PIK3CA
SCHEMBL31106994 0.73 SGK1 (0.38) SGK1PLK4PAK4PDE2A
SCHEMBL3721321 0.72 HSD17B10 (0.48) MTORPIK3CA
SCHEMBL83679 0.72 MTOR (0.41) MTORPIK3CA
SCHEMBL55448 0.72 PIK3CA (0.53) MTORPIK3CAPDE2A

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 6 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-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
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 1/4885AKT2 22/4885GRM4 3732/4885

“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.