SCHEMBL55781

SCHEMBL55781

Clc1nc(N2CC3CCC(C2)O3)c2sccc2n1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTOR P42345 16/20 0.63
PIK3CA P42336 16/20 0.63
PIK3R1 P27986 1/20 0.43
PRKCI P41743 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40

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
Hydrochloric Acid SCHEMBL56427 0.99 MTOR (0.62) MTORPIK3CAPIK3R1PRKCIKDM4E
SCHEMBL3659896 0.80 MTOR (0.76) MTORPIK3CAPRKCI
SCHEMBL55812 0.78 MTOR (1.00) MTORPIK3CAPRKCI
SCHEMBL55958 0.78 MTOR (1.00) MTORPIK3CAPRKCI
SCHEMBL20589783 0.77 PDE4A (0.57) MTORPIK3CAPIK3R1PRKCIKDM4E
SCHEMBL189594 0.76 PIK3CA (0.72) MTORPIK3CAPIK3R1KDM4EADORA2A
SCHEMBL55752 0.76 MTOR (1.00) MTORPIK3CAPIK3R1PRKCI
SCHEMBL2801448 0.76 HRH4 (0.53) MTORPIK3CAPIK3R1KDM4EADORA2A
SCHEMBL55778 0.75 MTOR (0.38) MTORPIK3CA
SCHEMBL55426 0.75 MTOR (0.68) MTORPIK3CA

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 1/4885PIK3CA 2/4885PIK3R1 31/4885

“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.