SCHEMBL855385

SCHEMBL855385

CC(C)(C)OC(=O)Cc1ccc(C(F)(F)F)c(Cl)n1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 11/20 0.43
CACNA1B Q00975 2/20 0.38
CACNA1C Q13936 2/20 0.38
CACNA1H O95180 1/20 0.38
CACNA1G O43497 1/20 0.35
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34
HTT P42858 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
NR1H2 P55055 2/20 0.34
NR1H3 Q13133 2/20 0.34
RXRA P19793 1/20 0.34

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
SCHEMBL855354 0.83 XPO1 (0.46) XPO1LMNAPOLB
SCHEMBL27627602 0.79 XPO1 (0.42) XPO1HTT
SCHEMBL855783 0.79 LMNA (0.37) XPO1CACNA1BCACNA1CCACNA1HCACNA1G
SCHEMBL28503221 0.76 XPO1 (0.40) XPO1CACNA1BCACNA1CCACNA1HCACNA1G
SCHEMBL2373934 0.75 P2RX7 (0.43)
SCHEMBL1592978 0.73 XPO1 (0.53) XPO1
SCHEMBL22028970 0.73 XPO1 (0.49) XPO1CACNA1BCACNA1CCACNA1HCACNA1G
SCHEMBL22028997 0.73 XPO1 (0.51) XPO1CACNA1BCACNA1CCACNA1HLMNA
SCHEMBL30592845 0.73 XPO1 (0.51) XPO1CACNA1BCACNA1CCACNA1HLMNA
SCHEMBL22029019 0.72 XPO1 (0.48) XPO1CACNA1BCACNA1CCACNA1HCACNA1G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2075249-B1 Indolylmaleimide derivatives NOVARTIS AG (CH) 2012-03-28 EP disclosed
US-7820672-B2 3-[5-chloro-6-methyl-2-(4-methyl-piperazin-1-yl)-pyrimidin-4-yl]-4-( 1H-indol-3-yl)-pyrrole-2,5-dione; T lymphocytes, Protein Kinase C (PKC) and glycogen synthase kinase 3 beta (GSK3B) mediated diseases; NOVARTIS AG (CH) 2010-10-26 US disclosed
EP-1597250-B1 INDOLYLMALEIMIDE DERIVATIVES NOVARTIS AG (CH) 2010-04-07 EP disclosed
EP-2075249-A2 Indolylmaleimide derivatives Novartis AG (CH) 2009-07-01 EP disclosed
US-20060058356-A1 Indolylmaleimide derivatives NOVARTIS AG 2006-03-16 US disclosed
EP-1597250-A2 INDOLYLMALEIMIDE DERIVATIVES Novartis AG (CH) 2005-11-23 EP disclosed
WO-2004072062-A2 INDOLYLMALEIMIDE DERIVATIVES NOVARTIS AG (CH) 2004-08-26 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-20060058356-A1 Indolylmaleimide derivatives GSK3B, GSK3A, GSKIP XPO1 2257/4885CACNA1B 1226/4885CACNA1C 1635/4885

“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.