SCHEMBL2825498

SCHEMBL2825498

Nc1ncc(-c2nc(N3CCOCC3)nc3[nH]ccc23)cn1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.61
PIK3R1 P27986 10/20 0.61
MTOR P42345 6/20 0.56
PIK3CD O00329 4/20 0.56
PIK3CB P42338 3/20 0.52
MAP3K12 Q12852 1/20 0.51
JAK3 P52333 2/20 0.49
RICTOR Q6R327 2/20 0.48
RPTOR Q8N122 2/20 0.48
MAPKAP1 Q9BPZ7 2/20 0.48
MLST8 Q9BVC4 2/20 0.48
PIK3CG P48736 2/20 0.48
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
PIK3C2B O00750 1/20 0.47

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
SCHEMBL7917254 0.81 PIK3CA (0.58) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL8062292 0.79 PIK3CA (0.58) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL12006072 0.76 PIK3CA (1.00) PIK3CAPIK3R1MTORPIK3CDJAK3
SCHEMBL10327870 0.76 PIK3CA (0.68) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL1655495 0.74 PIK3CA (0.58) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL18032475 0.74 PIK3CA (0.57) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL10328269 0.73 PIK3CA (0.64) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL1308957 0.73 PIK3CA (1.00) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL2565055 0.73 PIK3CA (0.51) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL18383735 0.73 PIK3CA (0.63) PIK3CAPIK3R1MTORPIK3CDPIK3CB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324284-A1 PYRROLOPYRIMIDINE DERIVATIVE AS P13K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA 2010-12-23 US disclosed
US-20100324284-A1 PYRROLOPYRIMIDINE DERIVATIVE AS P13K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA 2010-12-23 US disclosed
EP-2239261-A1 PYRROLOPYRIMIDIN DERIVATIVE FOR USE AS PI3K INHIBITOR, AND USE THEREOF Chugai Seiyaku Kabushiki Kaisha (JP) 2010-10-13 EP 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-20100324284-A1 PYRROLOPYRIMIDINE DERIVATIVE AS P13K INHIBITOR AND USE THEREOF CSNK1A1, CSK, CSNK1A1L PIK3CA 44/4885PIK3R1 69/4885MTOR 12/4885

“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.