SCHEMBL855167

SCHEMBL855167

COC(=O)n1c(C)cc2c(N)c(Cl)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRE P78334 1/20 0.39
GABRA6 Q16445 1/20 0.39
GABRG1 Q8N1C3 1/20 0.39
GABRG3 Q99928 1/20 0.39
GABRQ Q9UN88 1/20 0.39

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
SCHEMBL6270904 0.92 ALDH1A1 (0.36) ALDH1A1HPGDMAPK1HSD17B10GABRP
SCHEMBL855826 0.83 ALDH1A1 (0.40) ALDH1A1HPGDMAPK1HSD17B10SMN1; SMN2
SCHEMBL856541 0.79 MAPT (0.39) ALDH1A1HPGDMAPK1HSD17B10MAPT
SCHEMBL18052955 0.77 ALDH1A1 (0.40) ALDH1A1HPGDMAPK1HSD17B10SMN1; SMN2
SCHEMBL856033 0.76 PTGS2 (0.50) AKR1C3AKR1C2CNR2CNR1PTGS2
SCHEMBL18052966 0.75 HPGD (0.40) ALDH1A1HPGDMAPK1HSD17B10GABRP
SCHEMBL20224044 0.74 ALDH1A1 (0.38) ALDH1A1HPGDMAPK1HSD17B10GABRP
SCHEMBL18054329 0.74 ALDH1A1 (0.43) ALDH1A1HPGDMAPK1HSD17B10SMN1; SMN2
SCHEMBL18054352 0.73 RORC (0.39) ALDH1A1HPGDMAPK1HSD17B10SMN1; SMN2
SCHEMBL18052954 0.72 HSD17B10 (0.38) ALDH1A1HPGDMAPK1HSD17B10GABRP

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 5 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

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 ALDH1A1 3792/4885HPGD 1483/4885MAPK1 768/4885

“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.