SCHEMBL2531946

SCHEMBL2531946

OCc1cc(Cl)c2nc(-n3ccnc3)nc(N3CCOCC3)c2n1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.37
PIK3R1 P27986 5/20 0.37
MTOR P42345 8/20 0.36
PIK3CG P48736 5/20 0.36
PIK3CD O00329 4/20 0.36
SLC29A1 Q99808 1/20 0.36
CD38 P28907 1/20 0.33
CHEK1 O14757 1/20 0.33
ATR Q13535 1/20 0.33
PDCD1 Q15116 1/20 0.33
ATRIP Q8WXE1 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
TSHR P16473 2/20 0.33
HTT P42858 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 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
SCHEMBL2531152 0.88 PIK3CA (0.38) PIK3CAPIK3R1MTORPIK3CGPIK3CD
SCHEMBL2531320 0.87 LMNA (0.40) PIK3CAMTORCHEK1ATRPDCD1
SCHEMBL2534623 0.82 PIK3CA (0.54) PIK3CAPIK3R1TSHR
SCHEMBL2535618 0.82 PIK3CD (0.48) PIK3CAPIK3R1MTORPIK3CGPIK3CD
SCHEMBL2537279 0.79 PIK3CA (0.43) PIK3CAMTORPIK3CGCD38CHEK1
SCHEMBL2527338 0.77 RAF1 (0.33) PIK3CAMTORCHEK1ATRPDCD1
SCHEMBL2532766 0.77 OPRK1 (0.41)
SCHEMBL2533309 0.76 ALDH1A1 (0.37) PIK3CAPIK3R1MTORCHEK1ATR
SCHEMBL1723374 0.75 ALDH1A1 (0.37) PIK3CAPIK3R1MTORPIK3CGPIK3CD
SCHEMBL12220548 0.75 PIK3CA (0.37) PIK3CAMTORCHEK1ATRPDCD1

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-20110257170-A1 4-MORPHOLINO-PYRIDO[3,2-D]PYRIMIDINES MERCK SERONO SA (CH) 2011-10-20 US disclosed
US-20110257170-A1 4-MORPHOLINO-PYRIDO[3,2-D]PYRIMIDINES MERCK SERONO SA (CH) 2011-10-20 US disclosed
US-20110257170-A1 4-MORPHOLINO-PYRIDO[3,2-D]PYRIMIDINES MERCK SERONO SA (CH) 2011-10-20 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-20110257170-A1 4-MORPHOLINO-PYRIDO[3,2-D]PYRIMIDINES PIK3CA, PIK3CD, PIK3CG PIK3CA 1/4885PIK3R1 24/4885MTOR 42/4885

“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.