SCHEMBL4098521

SCHEMBL4098521

C[Si](C)(C)CCOCn1ccc2c(c1=O)c1cc(F)ccc1c1nc(Cl)n(COCC[Si](C)(C)C)c21

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
AKR1B10 O60218 3/20 0.33
MAPT P10636 1/20 0.31
DGAT1 O75907 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 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 0.96 NPC1 (0.33) NPC1AKR1B10MAPTDGAT1KDM4E
SCHEMBL4092544 0.88 ALDH1A1 (0.35) NPC1MAPTKDM4EALDH1A1
SCHEMBL5761967 0.82 KDM4E (0.33) DGAT1KDM4EALDH1A1
SCHEMBL5760757 0.79 KDM4E (0.33) DGAT1KDM4EALDH1A1
SCHEMBL6286310 0.79 CHEK1 (0.49) NPC1DGAT1KDM4EALDH1A1
SCHEMBL3621935 0.78 PTGES (0.37) NPC1DGAT1
SCHEMBL4101690 0.77 DPP4 (0.35) MAPTKDM4EALDH1A1
SCHEMBL13740523 0.77 EGLN1 (0.35) NPC1KDM4EALDH1A1
SCHEMBL4101641 0.76 DPP4 (0.34) KDM4EALDH1A1
SCHEMBL4096907 0.75 KDM4E (0.35) MAPTKDM4EALDH1A1

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 NPC1 4245/4885AKR1B10 3069/4885MAPT 2554/4885
US-20060106020-A1 Tetracyclic inhibitors of Janus kinases JAK1, JAK2, JAK3 NPC1 4245/4885AKR1B10 3069/4885MAPT 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.