SCHEMBL55036

SCHEMBL55036

Nc1ccc(C(=O)NN2CCCC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.66
CYP2D6 P10635 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PKM P14618 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 2/20 0.48
POLB P06746 2/20 0.48
MEN1 O00255 1/20 0.48
APEX1 P27695 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
HIF1A Q16665 1/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
SLC22A8 Q8TCC7 1/20 0.44
HDAC6 Q9UBN7 1/20 0.43
MAPK8 P45983 1/20 0.43
MAPK10 P53779 1/20 0.43

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
SCHEMBL11226926 0.92 CYP2D6 (0.57) HTTCYP2D6SMN1; SMN2PKMKMT2A
SCHEMBL15153463 0.84 CYP2D6 (0.71) HTTCYP2D6SMN1; SMN2PKMKMT2A
SCHEMBL5406540 0.83 HTT (0.73) HTTCYP2D6SMN1; SMN2PKMKMT2A
SCHEMBL15153321 0.82 CYP2D6 (0.48) HTTCYP2D6SMN1; SMN2PKMKMT2A
SCHEMBL4959035 0.81 HTT (0.66) HTTCYP2D6SMN1; SMN2PKMKMT2A
SCHEMBL280280 0.81 CYP2D6 (0.73) HTTCYP2D6SMN1; SMN2KMT2AALDH1A1
SCHEMBL2399935 0.81 HTT (0.96) HTTSMN1; SMN2PKMKMT2AALDH1A1
SCHEMBL27837251 0.81 HTT (0.60) HTTKMT2AALDH1A1MEN1
SCHEMBL2952902 0.81 HTT (0.56) HTTCYP2D6SMN1; SMN2PKMKMT2A
SCHEMBL14441144 0.81 HTT (0.60) HTTCYP2D6SMN1; SMN2PKMKMT2A

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 HTT 2592/4885CYP2D6 713/4885SMN1; SMN2 3070/4885

“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.