SCHEMBL855354

SCHEMBL855354

CCOC(=O)Cc1ccc(C(F)(F)F)c(Cl)n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 2/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
POLB P06746 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
HPGD P15428 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
FPR1 P21462 1/20 0.41
RAB9A P51151 1/20 0.40
BRCA1 P38398 1/20 0.40

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
SCHEMBL855385 0.83 XPO1 (0.43) XPO1POLBLMNA
SCHEMBL857395 0.79 HDAC3 (0.40) KMT2AMEN1MAPTSMN1; SMN2POLB
SCHEMBL5432959 0.78 CYP1A2 (0.53) XPO1KMT2AMEN1MAPTHPGD
SCHEMBL2432545 0.78 MAPT (0.46) KMT2AMEN1MAPTSMN1; SMN2POLB
SCHEMBL534133 0.75 SYK (0.47) KMT2AMEN1MAPTSMN1; SMN2POLB
SCHEMBL30864787 0.75 SYK (0.47) KMT2AMEN1MAPTSMN1; SMN2POLB
SCHEMBL18611252 0.74 XPO1 (0.46) XPO1
SCHEMBL671079 0.74 POLQ (0.45) KMT2AMEN1MAPTSMN1; SMN2RXFP1
SCHEMBL20496807 0.74 MAPT (0.45) MAPTSMN1; SMN2CYP1A2HSD17B10LMNA
SCHEMBL17653827 0.74 POLB (0.46) KMT2AMEN1MAPTSMN1; SMN2POLB

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 2257/4885KMT2A 1839/4885MEN1 3377/4885

“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.