SCHEMBL855783

SCHEMBL855783

CC(C)(C)OC(=O)Cc1nc(Cl)ccc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
KMT2A Q03164 1/20 0.37
HTT P42858 1/20 0.36
POLB P06746 1/20 0.36
CACNA1B Q00975 2/20 0.35
CACNA1C Q13936 2/20 0.35
CACNA1H O95180 1/20 0.35
AAK1 Q2M2I8 2/20 0.35
XPO1 O14980 2/20 0.34
MAPKAPK2 P49137 3/20 0.34
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33
RXRA P19793 1/20 0.33
P2RX7 Q99572 1/20 0.33
CACNA1G O43497 1/20 0.32

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
SCHEMBL857395 0.83 HDAC3 (0.40) KMT2APOLB
SCHEMBL29223296 0.82 LMNA (0.40) LMNAKMT2AMAPKAPK2MTNR1AMTNR1B
SCHEMBL27647823 0.80 HTT (0.38) LMNAKMT2AHTTAAK1XPO1
SCHEMBL28001487 0.79 RXRA (0.43) HTTXPO1RXRAP2RX7
SCHEMBL855385 0.79 XPO1 (0.43) LMNAHTTPOLBCACNA1BCACNA1C
SCHEMBL27627608 0.76 NOTUM (0.39) LMNAKMT2AHTTXPO1
SCHEMBL11974014 0.72 XPO1 (0.36) HTTCACNA1CXPO1
SCHEMBL17477208 0.72 NOTUM (0.37) HTTXPO1P2RX7
SCHEMBL2212160 0.71 ACACB (0.41) KMT2AHTTMTNR1AMTNR1B
SCHEMBL991391 0.71 MTNR1A (0.40) LMNACACNA1BCACNA1CCACNA1HAAK1

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 LMNA 1298/4885KMT2A 1839/4885HTT 4074/4885

“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.