SCHEMBL2674014

SCHEMBL2674014

O=C(O)Cc1nc2c(N3CCOCC3)nc(Cl)nc2s1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 3/20 0.36
HTT P42858 2/20 0.36
PIK3CA P42336 2/20 0.36
HDAC1 Q13547 1/20 0.36
PIK3R1 P27986 1/20 0.36
ADORA2A P29274 2/20 0.35
PIK3CD O00329 3/20 0.35
SLC29A1 Q99808 1/20 0.35
PIK3CB P42338 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
GAA P10253 2/20 0.34
P2RX3 P56373 2/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
HPGD P15428 2/20 0.33
NT5E P21589 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
SCHEMBL25391427 0.85 SLC29A1 (0.41) PIK3CAHDAC1PIK3R1ADORA2APIK3CD
SCHEMBL2674349 0.81 PIK3CA (0.40) KDM4EALDH1A1HTTPIK3CAHDAC1
SCHEMBL1192253 0.79 MAPK1 (0.40) KDM4EALDH1A1HTTHDAC1ADORA2A
SCHEMBL2673378 0.79 PIK3CD (0.46) PIK3CAADORA2APIK3CDPIK3CB
SCHEMBL2673601 0.79 HTT (0.34) HTTPIK3CAHDAC1PIK3CDSLC29A1
SCHEMBL8058856 0.79 ADORA2A (0.45) ALDH1A1HTTPIK3CAADORA2ASLC29A1
SCHEMBL1194461 0.77 ADORA2A (0.39) KDM4EALDH1A1PIK3CAPIK3R1ADORA2A
SCHEMBL1192715 0.76 PIK3CD (0.41) KDM4EALDH1A1HTTADORA2APIK3CD
SCHEMBL2673074 0.76 PIK3CD (0.40) KDM4EALDH1A1HTTADORA2APIK3CD
SCHEMBL2619267 0.76 HDAC1 (0.37) KDM4EALDH1A1HTTPIK3CAHDAC1

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-8394796-B2 Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2013-03-12 US disclosed
US-20120178736-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE CASTANEDO GEORGETTE (US) 2012-07-12 US disclosed
US-8173650-B2 Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2012-05-08 US disclosed
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. 2010-12-02 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 (2 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-20120178736-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD KDM4E 4660/4885ALDH1A1 4438/4885HTT 4707/4885
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD KDM4E 4647/4885ALDH1A1 4423/4885HTT 4741/4885

“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.