SCHEMBL56442

SCHEMBL56442

NC(=O)NOB(O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 2/20 0.39
ORAI2 Q96SN7 2/20 0.39
ORAI3 Q9BRQ5 2/20 0.39
TRPV6 Q9H1D0 2/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
ENPP2 Q13822 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
PCSK9 Q8NBP7 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 3/20 0.37
GAA P10253 1/20 0.37
GFER P55789 1/20 0.37
BLM P54132 2/20 0.37
RECQL P46063 2/20 0.37
POLB P06746 2/20 0.37

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
SCHEMBL910653 0.82 NAPRT (0.41) ORAI1ORAI2ORAI3TRPV6CA4
SCHEMBL6184019 0.82 KMT2A (0.39) ORAI1ORAI2ORAI3TRPV6CA4
SCHEMBL20483698 0.81 ALDH1A1 (0.52) KMT2AMAPTGAAPOLBHSD17B10
SCHEMBL7040701 0.79 ALDH1A1 (0.41) ORAI1ORAI2ORAI3TRPV6CA4
SCHEMBL1711735 0.78 TGM2 (0.46) ORAI1ORAI2ORAI3TRPV6CA4
SCHEMBL6517489 0.78 CES1 (0.38) ORAI1ORAI2ORAI3TRPV6CA4
SCHEMBL7827753 0.78 SPHK2 (0.38) ORAI1ORAI2ORAI3TRPV6CA4
SCHEMBL28416377 0.77 HDAC2 (0.33) ORAI1ORAI2ORAI3TRPV6CA4
SCHEMBL1711927 0.77 ALDH1A1 (0.45) ORAI1ORAI2ORAI3TRPV6CA4
SCHEMBL2243245 0.75 ALDH1A1 (0.36) ORAI1ORAI2ORAI3TRPV6CA4

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 ORAI1 4116/4885ORAI2 3334/4885ORAI3 3671/4885

“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.