SCHEMBL4359430

SCHEMBL4359430

C[Si](C)(C)CCOCn1c(=O)oc2c(CCc3cccc(NC(=O)O)c3)cc(N)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.36
MAPT P10636 4/20 0.34
F11 P03951 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
TP53 P04637 2/20 0.32
POLB P06746 1/20 0.32
AURKA O14965 1/20 0.31
AURKB Q96GD4 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
CBX7 O95931 1/20 0.31
RECQL P46063 1/20 0.31
CDYL2 Q8N8U2 1/20 0.31
CDYL Q9Y232 1/20 0.31
CDY1; CDY1B Q9Y6F8 1/20 0.31
ASAH1 Q13510 1/20 0.31
PTGER3 P43115 1/20 0.31
BRD4 O60885 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
SCHEMBL13623302 0.90 TLR7 (0.38) NPC1MAPTF11CYP3A4CYP2C19
SCHEMBL13623303 0.74 BCL6 (0.36) F11CYP3A4CYP2C19AURKABRD4
SCHEMBL13623300 0.73 SMN1; SMN2 (0.38) CYP1A2CYP3A4CYP2D6CYP2C19POLB
SCHEMBL1076060 0.71 BCL6 (0.35) F11
SCHEMBL4357175 0.70 MEN1 (0.33) NPC1MAPTSMN1; SMN2RAB9AALDH1A1
SCHEMBL4334746 0.65 MAOA (0.58) NPC1MAPTPOLBSMN1; SMN2RAB9A
SCHEMBL16475228 0.64 NPC1 (0.42) NPC1ASAH1
SCHEMBL637330 0.64 NPC1 (0.42) NPC1MAPTCBX7CDYL2CDYL
SCHEMBL32674450 0.62 KMO (0.44) NPC1TP53
SCHEMBL1072098 0.61 TLR7 (0.42) NPC1CYP3A4CYP2C19POLBAURKA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK NPC1 2849/4885MAPT 3239/4885F11 3082/4885

“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.