SCHEMBL2531142

SCHEMBL2531142

COC(=O)c1cc(N2CCN(C)CC2)c2nc(-n3ccnc3)nc(N3CCOCC3)c2n1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 4/20 0.42
HRH4 Q9H3N8 1/20 0.37
PIK3CA P42336 4/20 0.37
MTOR P42345 3/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.35
PIK3R1 P27986 1/20 0.35
RAF1 P04049 1/20 0.35
BRAF P15056 1/20 0.35
GAA P10253 1/20 0.35
ALOX15 P16050 1/20 0.35
KDM4E B2RXH2 1/20 0.34
KMT2A Q03164 1/20 0.34
KCNH2 Q12809 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
SCHEMBL2537638 0.95 ALDH1A1 (0.38) HTR1BPIK3CAMTORALDH1A1MAPT
SCHEMBL2537279 0.85 PIK3CA (0.43) PIK3CAMTORALDH1A1RAF1BRAF
SCHEMBL2535264 0.84 MTOR (0.38) PIK3CAMTORALDH1A1RAF1BRAF
SCHEMBL2537603 0.84 PIK3CA (0.44) HTR1BPIK3CA
SCHEMBL2530623 0.83 PIK3CA (0.42) PIK3CAMTORALDH1A1PIK3R1RAF1
SCHEMBL2532730 0.82 PIK3CA (0.52) PIK3CA
SCHEMBL2530884 0.81 MAPK1 (0.46) PIK3CAALDH1A1MAPTPIK3R1ALOX15
SCHEMBL2536578 0.80 CD38 (0.41) PIK3CAMTORALDH1A1PIK3R1
SCHEMBL2532352 0.80 PIK3CA (0.53) PIK3CA
SCHEMBL2531152 0.75 PIK3CA (0.38) PIK3CAMTORMAPTPIK3R1RAF1

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 HTR1B 1804/4885HRH4 3157/4885PIK3CA 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.