SCHEMBL2531320

SCHEMBL2531320

COCc1cc(Cl)c2nc(-n3ccnc3)nc(N3CCOCC3)c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
HTT P42858 3/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MTOR P42345 2/20 0.34
SMN1; SMN2 Q16637 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
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
MAPK1 P28482 1/20 0.33
PIK3CA P42336 2/20 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
SCHEMBL2533309 0.87 ALDH1A1 (0.37) LMNAHTTALDH1A1L3MBTL1KDM4E
SCHEMBL2531946 0.87 PIK3CA (0.37) LMNAHTTMTORCHEK1ATR
SCHEMBL1723374 0.87 ALDH1A1 (0.37) LMNAHTTALDH1A1L3MBTL1KDM4E
SCHEMBL12220438 0.87 ALDH1A1 (0.37) LMNAHTTALDH1A1L3MBTL1KDM4E
SCHEMBL2535025 0.87 PIK3CA (0.42) LMNAHTTALDH1A1L3MBTL1KDM4E
SCHEMBL12220548 0.86 PIK3CA (0.37) LMNAHTTALDH1A1L3MBTL1KDM4E
SCHEMBL2533307 0.86 ALDH1A1 (0.35) LMNAHTTALDH1A1L3MBTL1KDM4E
SCHEMBL2528796 0.83 PIK3CA (0.37) LMNAHTTALDH1A1L3MBTL1KDM4E
SCHEMBL2537279 0.81 PIK3CA (0.43) HTTALDH1A1MTORCHEK1ATR
SCHEMBL2534623 0.78 PIK3CA (0.54) SMN1; SMN2PIK3CATSHR

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 LMNA 4183/4885HTT 3933/4885ALDH1A1 2503/4885

“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.