SCHEMBL55766

SCHEMBL55766

CN(C)c1ccc(N)cn1.Nc1ccc(OCCN2CCOCC2)nc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.41
TLR7 Q9NYK1 1/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
ATM Q13315 1/20 0.40
KCNH2 Q12809 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
BCHE P06276 1/20 0.39
MAOA P21397 1/20 0.39
ACHE P22303 1/20 0.39
MAOB P27338 1/20 0.39
HTR2B P41595 1/20 0.39

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
SCHEMBL55617 0.89 SIGMAR1 (0.48) SIGMAR1POLBTSHRCA12CA1
SCHEMBL29769807 0.89 SIGMAR1 (0.48) SIGMAR1POLBTSHRCA12CA1
Hydrochloric Acid SCHEMBL16210022 0.88 NPC1 (0.48) SIGMAR1POLBTSHRCA12CA1
SCHEMBL6643866 0.82 HRH3 (0.51) SIGMAR1TSHRKCNH2HTR2B
SCHEMBL3388981 0.78 SMYD3 (0.42) SIGMAR1TLR7TSHRKCNH2HTR2B
SCHEMBL3388992 0.77 LTA4H (0.47) SIGMAR1TLR7KCNH2
SCHEMBL1021170 0.77 LTA4H (0.59) TSHRHTR2B
SCHEMBL12858842 0.76 POLB (0.55) SIGMAR1POLBKCNH2HTR2B
SCHEMBL6413519 0.76 LTA4H (0.58) TSHRHTR2B
Hydrochloric Acid SCHEMBL1640534 0.76 LTA4H (0.58) TSHRHTR2B

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 4 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
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 SIGMAR1 3922/4885TLR7 3087/4885POLB 1679/4885

“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.