SCHEMBL2533307

SCHEMBL2533307

COCc1cc(C=S)c2nc(-n3ccnc3)nc(N3CCOCC3)c2n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MTOR P42345 1/20 0.33
CHEK1 O14757 1/20 0.32
ATR Q13535 1/20 0.32
PDCD1 Q15116 1/20 0.32
ATRIP Q8WXE1 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
MAPK1 P28482 1/20 0.32
NOS2 P35228 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL2531320 0.86 LMNA (0.40) ALDH1A1LMNAHTTL3MBTL1KDM4E
SCHEMBL2533309 0.85 ALDH1A1 (0.37) ALDH1A1LMNAHTTL3MBTL1KDM4E
SCHEMBL2535025 0.84 PIK3CA (0.42) ALDH1A1LMNAHTTL3MBTL1KDM4E
SCHEMBL12220438 0.84 ALDH1A1 (0.37) ALDH1A1LMNAHTTL3MBTL1KDM4E
SCHEMBL1723374 0.84 ALDH1A1 (0.37) ALDH1A1LMNAHTTL3MBTL1KDM4E
SCHEMBL12220548 0.83 PIK3CA (0.37) ALDH1A1LMNAHTTL3MBTL1KDM4E
SCHEMBL2528796 0.82 PIK3CA (0.37) ALDH1A1LMNAHTTL3MBTL1KDM4E
SCHEMBL1725302 0.78 RAF1 (0.34) CHEK1ATRPDCD1ATRIPCD274
SCHEMBL2531291 0.78 RAF1 (0.32) CHEK1ATRPDCD1ATRIPCD274
SCHEMBL2531152 0.73 PIK3CA (0.38) LMNAHTTMTORCHEK1ATR

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 1 patent. 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

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

“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.