SCHEMBL2536573

SCHEMBL2536573

Cc1noc(-c2cc(Cl)c3nc(-n4cccn4)nc(N4CCOCC4)c3n2)n1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
LMNA P02545 1/20 0.46
PIK3CA P42336 1/20 0.41
MTOR P42345 1/20 0.41
JAK3 P52333 1/20 0.41
NTRK2 Q16620 1/20 0.41
CAMK2A Q9UQM7 1/20 0.41
OPRK1 P41145 10/20 0.39
OPRM1 P35372 5/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
ADORA2A P29274 4/20 0.36
EGLN1 Q9GZT9 1/20 0.34

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
SCHEMBL2531028 0.87 HTT (0.45) HTTLMNAPIK3CAMTORJAK3
SCHEMBL1711445 0.87 HTT (0.45) HTTLMNAPIK3CAMTORJAK3
SCHEMBL12220460 0.87 HTT (0.45) HTTLMNAPIK3CAMTORJAK3
SCHEMBL1711441 0.87 HTT (0.45) HTTLMNAPIK3CAMTORJAK3
SCHEMBL2532500 0.84 LMNA (0.47) HTTLMNAPIK3CAMTORJAK3
SCHEMBL2532766 0.83 OPRK1 (0.41) OPRK1OPRM1
SCHEMBL2791040 0.81 PIK3CA (0.40) HTTLMNAPIK3CAMTORJAK3
SCHEMBL2532492 0.77 PIK3CA (0.57) HTTLMNAPIK3CAMTORJAK3
SCHEMBL1711450 0.76 LMNA (0.39) HTTLMNAPIK3CAMTORJAK3
SCHEMBL2533823 0.76 HTT (0.46) HTTLMNAPIK3CAMTORJAK3

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-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
WO-2010037765-A2 4-MORPHOLINO-PYRIDO[3,2-D]PYRIMIDINES MERCK SERONO S.A. (CH) 2010-04-08 WO 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 HTT 3933/4885LMNA 4183/4885PIK3CA 1/4885

“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.