SCHEMBL2877372

SCHEMBL2877372

Nc1ccccc1-c1cccc(S(=O)(=O)CCN2CCOCC2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
EPHX2 P34913 3/20 0.48
ALOX5AP P20292 1/20 0.44
FEN1 P39748 1/20 0.44
BRD4 O60885 2/20 0.43
NPSR1 Q6W5P4 2/20 0.40
MAPT P10636 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 1/20 0.39
GAA P10253 1/20 0.39
USP2 O75604 1/20 0.38
CNR1 P21554 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
SCHEMBL13408045 0.81 MEN1 (0.69) MEN1KMT2AEPHX2NPSR1MAPT
Hydrochloric Acid SCHEMBL11529235 0.77 KMT2A (0.97) MEN1KMT2AEPHX2NPSR1MAPT
SCHEMBL2877375 0.75 MEN1 (0.71) MEN1KMT2AEPHX2MAPTPOLB
SCHEMBL5261643 0.73 KMT2A (0.72) MEN1KMT2AEPHX2NPSR1MAPT
SCHEMBL4926172 0.70 ALDH1A1 (0.52) BRD4MAPTADORA2AALDH1A1GAA
SCHEMBL11530025 0.70 KMT2A (0.82) MEN1KMT2AEPHX2NPSR1MAPT
SCHEMBL4878183 0.69 MEN1 (0.57) MEN1KMT2AEPHX2POLBKDM4E
Hydrochloric Acid SCHEMBL11538410 0.68 EPHX2 (0.64) MEN1KMT2AEPHX2NPSR1MAPT
SCHEMBL3459265 0.68 JAK2 (0.52) MEN1KMT2AEPHX2
SCHEMBL13091569 0.68 MEN1 (0.49) MEN1KMT2AALDH1A1TSHRCNR1

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.