SCHEMBL4092544

SCHEMBL4092544

C[Si](C)(C)CCOCn1ccc2c3nc(Cl)n(Cc4ccccc4)c3c3ccc(F)cc3c2c1=O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 3/20 0.34
HTT P42858 2/20 0.34
HK1 P19367 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
PLK1 P53350 1/20 0.34
BRD4 O60885 3/20 0.33
EGLN1 Q9GZT9 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GRM2 Q14416 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
NPC1 O15118 1/20 0.32
CD74 P04233 1/20 0.32
MIF P14174 1/20 0.32
DPP4 P27487 2/20 0.32
LMNA P02545 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 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
SCHEMBL13741504 0.92 NPC1 (0.33) ALDH1A1MAPTNPC1KDM4E
SCHEMBL13740523 0.91 EGLN1 (0.35) ALDH1A1EGLN1GRM2NPC1LMNA
SCHEMBL4098521 0.88 NPC1 (0.33) ALDH1A1MAPTNPC1KDM4E
SCHEMBL4101690 0.88 DPP4 (0.35) ALDH1A1HSD17B10MAPTHTTHK1
SCHEMBL4101641 0.86 DPP4 (0.34) ALDH1A1HSD17B10HTTNPSR1DPP4
SCHEMBL4103659 0.84 DPP4 (0.33) ALDH1A1HSD17B10HTTEGLN1PTGDR2
SCHEMBL4096907 0.84 KDM4E (0.35) ALDH1A1HSD17B10MAPTHTTDPP4
SCHEMBL4097775 0.83 HRH3 (0.40) LMNA
SCHEMBL13741402 0.82 TLR7 (0.43) ALDH1A1HSD17B10MAPTEGLN1NPSR1
SCHEMBL4104674 0.79 DPP4 (0.35) ALDH1A1HSD17B10NPSR1DPP4LMNA

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-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION 2009-08-27 US disclosed
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION 2009-08-27 US disclosed
US-20060106020-A1 Tetracyclic inhibitors of Janus kinases INCYTE CORPORATION 2006-05-18 US disclosed
WO-2005105814-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2005-11-10 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-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES JAK1, JAK2, JAK3 ALDH1A1 3857/4885HSD17B10 3359/4885MAPT 2554/4885
US-20060106020-A1 Tetracyclic inhibitors of Janus kinases JAK1, JAK2, JAK3 ALDH1A1 3857/4885HSD17B10 3359/4885MAPT 2554/4885

“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.