SCHEMBL4396762

SCHEMBL4396762

CC1(C)OB(c2ccnc3ccc(C=O)cc23)OC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
MEN1 O00255 3/20 0.39
ALDH1A1 P00352 3/20 0.39
POLB P06746 3/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
PTK2B Q14289 1/20 0.39
IP6K1 Q92551 1/20 0.36
MAPKAPK2 P49137 1/20 0.32
EGFR P00533 2/20 0.32
PIK3CD O00329 1/20 0.31
GAK O14976 1/20 0.31
RPS6KA4 O75676 1/20 0.31
STK10 O94804 1/20 0.31
PIM1 P11309 1/20 0.31
CSNK2A2 P19784 1/20 0.31

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
SCHEMBL25606892 0.80 HTR1A (0.44) KDM4EALDH1A1MAPTSMN1; SMN2MAPKAPK2
SCHEMBL28476218 0.79 ALDH1A1 (0.37) KDM4EMEN1ALDH1A1POLBKMT2A
SCHEMBL16156593 0.79 NR4A2 (0.47) ALDH1A1KMT2ASMN1; SMN2HPGDMAPKAPK2
SCHEMBL16156637 0.79 LPL (0.41) EGFRGAK
SCHEMBL29924048 0.79 LPL (0.41) EGFRGAK
SCHEMBL23911086 0.77 LMNA (0.48) KDM4EMAPTGAK
SCHEMBL2512339 0.76 GAK (0.41) MAPKAPK2GAK
SCHEMBL25606843 0.76 EGFR (0.34) EGFR
SCHEMBL30074594 0.76 EGFR (0.34) EGFR
SCHEMBL476912 0.75 NCF1 (0.42) KDM4EMEN1ALDH1A1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306074-A1 THIAZOLIDINEDIONE DERIVATIVES AS P13 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-12-10 US disclosed
EP-2004189-A2 THIAZOLIDINEDIONE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-24 EP disclosed
US-20080255115-A1 THIAZOLIDINEDIONE DERIVATIVES AS PI3 KINASE INHIBITORS DARCY MICHAEL GERARD 2008-10-16 US disclosed
WO-2007136940-A2 THIAZOLIDINEDIONE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-11-29 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-20080255115-A1 THIAZOLIDINEDIONE DERIVATIVES AS PI3 KINASE INHIBITORS PI4KA, JAK3, PIK3CD KDM4E 4181/4885MEN1 3894/4885ALDH1A1 636/4885
US-20090306074-A1 THIAZOLIDINEDIONE DERIVATIVES AS P13 KINASE INHIBITORS JAK3, DPP3, ADRB3 KDM4E 4486/4885MEN1 2866/4885ALDH1A1 922/4885

“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.