SCHEMBL1272497

SCHEMBL1272497

Cc1ccc(S(=O)(=O)n2nc(C)c3cc(Br)ccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
KMT2A Q03164 9/20 0.45
MEN1 O00255 8/20 0.45
ALDH1A1 P00352 4/20 0.45
LMNA P02545 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.43
SLC9A1 P19634 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
ALOX12 P18054 1/20 0.41
GAA P10253 1/20 0.41
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
MAPK8 P45983 1/20 0.40
PKM P14618 1/20 0.40
THRB P10828 1/20 0.39
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KLK7 P49862 1/20 0.38

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
SCHEMBL2144861 0.89 MAPT (0.50) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL25172564 0.86 MAPT (0.45) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL30503138 0.86 MAPT (0.45) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL30302198 0.82 NR1H2 (0.49) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL1100213 0.80 MAPT (0.47) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL12253486 0.80 SLC9A1 (0.56) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL25172322 0.78 MAPT (0.48) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL30661141 0.78 HTR6 (0.47) ALDH1A1LMNATP53SMN1; SMN2GAA
SCHEMBL15910233 0.78 HTR6 (0.47) ALDH1A1LMNATP53SMN1; SMN2GAA
SCHEMBL25169342 0.77 MAPT (0.47) MAPTKMT2AMEN1ALDH1A1LMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110034454-A1 MORPHOLINO PYRIMIDINE DERIVATIVES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2011-02-10 US disclosed
US-20110034454-A1 MORPHOLINO PYRIMIDINE DERIVATIVES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2011-02-10 US disclosed
US-20110034454-A1 MORPHOLINO PYRIMIDINE DERIVATIVES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2011-02-10 US disclosed
EP-1979325-A1 MORPHOLINO PYRIMIDINE DERIVATIVES AND THEIR USE IN THERAPY AstraZeneca AB (SE) 2008-10-15 EP disclosed
WO-2007080382-A1 MORPHOLINO PYRIMIDINE DERIVATIVES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2007-07-19 WO disclosed
WO-2007080382-A1 MORPHOLINO PYRIMIDINE DERIVATIVES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2007-07-19 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-20110034454-A1 MORPHOLINO PYRIMIDINE DERIVATIVES AND THEIR USE IN THERAPY TYMP, TYMS, PIK3CA MAPT 2984/4885KMT2A 2550/4885MEN1 2907/4885

“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.