SCHEMBL3517085

SCHEMBL3517085

O=S(=O)(CCN1CCOCC1)c1ccc(Br)cc1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.72
MEN1 O00255 1/20 0.72
ALDH1A1 P00352 3/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.51
MPI P34949 1/20 0.51
MAPK1 P28482 1/20 0.51
EPHX2 P34913 2/20 0.50
IDO1 P14902 1/20 0.49
TSHR P16473 4/20 0.48
HTT P42858 1/20 0.48
POLB P06746 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
CNR1 P21554 1/20 0.46
PLCG1 P19174 1/20 0.46

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
SCHEMBL11533149 0.91 EPHX2 (0.60) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL5261643 0.84 KMT2A (0.72) KMT2AMEN1ALDH1A1MAPTEPHX2
SCHEMBL11531653 0.84 MEN1 (0.72) KMT2AMEN1ALDH1A1MAPK1EPHX2
SCHEMBL1939359 0.84 KMT2A (0.72) KMT2AMEN1ALDH1A1MAPTEPHX2
SCHEMBL11535141 0.84 MEN1 (0.72) KMT2AMEN1LMNAMAPTMAPK1
SCHEMBL2920100 0.84 MEN1 (0.72) KMT2AMEN1ALDH1A1MAPTEPHX2
SCHEMBL19152146 0.83 MEN1 (0.49) KMT2AMEN1ALDH1A1LMNAMAPK1
Hydrochloric Acid SCHEMBL11529235 0.83 KMT2A (0.97) KMT2AMEN1ALDH1A1MAPTEPHX2
SCHEMBL1448096 0.81 KMT2A (0.72) KMT2AMEN1ALDH1A1MAPTMAPK1
SCHEMBL12015818 0.81 KMT2A (0.67) KMT2AMEN1ALDH1A1MAPTEPHX2

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-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors CAPRARO HANS-GEORG 2010-12-09 US disclosed
EP-2155202-A2 3,6-DISUBSTITUTED-IMIDAZO[1,2-B]PYRIDAZINES AND 3,5-DISUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINES AS PHOSPHATIDYLINOSITOL-3-KINASE INHIBITORS Novartis Ag (CH) 2010-02-24 EP disclosed
WO-2008138889-A2 3, 6-DISUBSTITUTED-IMIDAZO [1, 2-B] PYRIDAZINES AND 3, 5-DISUBSTITUTED PYRAZOLO[1, 5-A] PYRIMIDINES AS PHOSPHATIDYLINOSITOL-3-KINASE INHIBITORS NOVARTIS AG (CH) 2008-11-20 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-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors PI4KA, PIP5K1B, PIP4K2A KMT2A 3440/4885MEN1 4716/4885ALDH1A1 1196/4885

“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.