SCHEMBL2877375

SCHEMBL2877375

O=S(=O)(CCN1CCOCC1)c1cccc(Nc2ccccc2)c1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.71
KMT2A Q03164 3/20 0.71
EPHX2 P34913 4/20 0.65
CASR P41180 2/20 0.48
GAA P10253 2/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 2/20 0.46
CYP2C19 P33261 1/20 0.46
POLB P06746 2/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 2/20 0.45
PKM P14618 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL4878183 0.86 MEN1 (0.57) MEN1KMT2AEPHX2LMNAPOLB
Hydrochloric Acid SCHEMBL11529235 0.82 KMT2A (0.97) MEN1KMT2AEPHX2GAAMAPT
SCHEMBL3459265 0.80 JAK2 (0.52) MEN1KMT2AEPHX2
SCHEMBL4007376 0.79 EPHX2 (1.00) MEN1KMT2AEPHX2CASRLMNA
SCHEMBL13408045 0.79 MEN1 (0.69) MEN1KMT2AEPHX2GAAMAPT
SCHEMBL11530025 0.76 KMT2A (0.82) MEN1KMT2AEPHX2MAPTPOLB
SCHEMBL2877372 0.75 MEN1 (0.62) MEN1KMT2AEPHX2GAAMAPT
SCHEMBL28215804 0.74 KMT2A (0.61) MEN1KMT2AEPHX2GAAMAPT
SCHEMBL3454560 0.74 SRC (0.52) MEN1KMT2AEPHX2POLBSMN1; SMN2
SCHEMBL10410608 0.74 MEN1 (0.74) MEN1KMT2AEPHX2POLBRAB9A

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-8410100-B2 Pteridinone derivatives as PI3-kinases inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-02 US disclosed
EP-2114945-B1 PTERIDINONE DERIVATIVES AS PI3-KINASES INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2010-10-20 EP disclosed
US-20100099680-A1 PTERIDINONE DERIVATIVES AS P13-KINASES INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-22 US disclosed
EP-2114945-A1 PTERIDINONE DERIVATIVES AS PI3-KINASES INHIBITORS Boehringer Ingelheim International GmbH (DE) 2009-11-11 EP disclosed
WO-2008092831-A1 PTERIDINONE DERIVATIVES AS PI3-KINASES INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-07 WO disclosed
EP-1953163-A1 Pteridinone derivatives as PI3-kinases inhibitors Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2008-08-06 EP 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-20100099680-A1 PTERIDINONE DERIVATIVES AS P13-KINASES INHIBITORS PIK3CA, PDPK1, PIK3C3 MEN1 2250/4885KMT2A 4005/4885EPHX2 4004/4885

“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.