SCHEMBL3606448

SCHEMBL3606448

O=S(=O)(Cc1cc(Cl)nc(Cl)n1)c1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
MAPT P10636 2/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
MCOLN3 Q8TDD5 1/20 0.52
POLB P06746 3/20 0.48
HTT P42858 2/20 0.48
MCL1 Q07820 1/20 0.48
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47
APH1A Q96BI3 1/20 0.47
PSENEN Q9NZ42 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
PTGS2 P35354 2/20 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
SCHEMBL3085048 0.84 KMT2A (0.71) ALDH1A1MAPTKMT2AMEN1MCOLN3
SCHEMBL3925720 0.76 POLB (0.66) ALDH1A1KMT2AMEN1POLBHTT
SCHEMBL629436 0.72 ALDH1A1 (0.44) ALDH1A1MAPTKMT2AMEN1MCOLN3
SCHEMBL3605815 0.69 L3MBTL1 (0.50) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL3591254 0.68 ALDH1A1 (0.41) ALDH1A1MAPTKMT2AMEN1MCOLN3
SCHEMBL28330248 0.68 FAAH (0.43) MAPTKMT2AMEN1PIK3CAMTOR
SCHEMBL4772848 0.67 PSEN1 (0.63) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL28108051 0.67 MLNR (0.53) MAPTPOLBPSEN1PSEN2APH1B
SCHEMBL4635552 0.67 KDM4E (0.56) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL1271857 0.67 KMT2A (0.63) ALDH1A1MAPTKMT2AMEN1MCOLN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2057140-B1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2012-08-08 EP disclosed
US-7750003-B2 Compounds-943 ASTRAZENECA AB (SE) 2010-07-06 US disclosed
US-7750003-B2 Compounds-943 ASTRAZENECA AB (SE) 2010-07-06 US disclosed
US-7750003-B2 Compounds-943 ASTRAZENECA AB (SE) 2010-07-06 US disclosed
EP-2074118-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES AstraZeneca AB (SE) 2009-07-01 EP disclosed
EP-2057140-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2009-05-13 EP disclosed
US-20090018134-A1 Compounds - 945 ASTRAZENECA AB (SE) 2009-01-15 US disclosed
US-20090018134-A1 Compounds - 945 ASTRAZENECA AB (SE) 2009-01-15 US disclosed
US-20090018134-A1 Compounds - 945 ASTRAZENECA AB (SE) 2009-01-15 US disclosed
WO-2009007748-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 WO disclosed
US-20080171743-A1 Transcutaneous immunostimulation ASTRAZENECA AB (SE) 2008-07-17 US disclosed
US-20080171743-A1 Transcutaneous immunostimulation ASTRAZENECA AB (SE) 2008-07-17 US disclosed
US-20080171743-A1 Transcutaneous immunostimulation ASTRAZENECA AB (SE) 2008-07-17 US disclosed
WO-2008023159-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-02-28 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 (2 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-20090018134-A1 Compounds - 945 MTOR, PIK3CA, PIK3R5 ALDH1A1 2861/4885MAPT 1124/4885KMT2A 2445/4885
US-20080171743-A1 Transcutaneous immunostimulation NFATC1, TLR9, MTOR ALDH1A1 3243/4885MAPT 2339/4885KMT2A 2735/4885

“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.