SCHEMBL4357175

SCHEMBL4357175

C[Si](C)(C)CCOCn1c(=O)oc2c(C#Cc3cccc(NC(=O)O)c3)cc([N+](=O)[O-])cc21

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.33
KMT2A Q03164 10/20 0.33
ALDH1A1 P00352 3/20 0.33
NPC1 O15118 5/20 0.32
MAPT P10636 6/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALOX5 P09917 1/20 0.32
PIN1 Q13526 1/20 0.32
LMNA P02545 3/20 0.31
RAB9A P51151 3/20 0.31
HSP90AA1 P07900 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
CCR6 P51684 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
IRAK4 Q9NWZ3 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
SCHEMBL4357169 1.00 MEN1 (0.33) MEN1KMT2AALDH1A1NPC1MAPT
SCHEMBL13623304 0.90 SIRT2 (0.36)
SCHEMBL4359152 0.78 SIRT2 (0.38) SMN1; SMN2
SCHEMBL1082292 0.72 MEN1 (0.35) MEN1KMT2ANPC1LMNA
SCHEMBL4359430 0.70 NPC1 (0.36) ALDH1A1NPC1MAPTSMN1; SMN2LMNA
SCHEMBL1025542 0.64 MAPT (0.42) MEN1KMT2AALDH1A1NPC1MAPT
SCHEMBL1025212 0.64 MAPT (0.52) MEN1KMT2AALDH1A1NPC1MAPT
SCHEMBL1025211 0.64 MAPT (0.52) MEN1KMT2AALDH1A1NPC1MAPT
SCHEMBL1025541 0.64 MAPT (0.42) MEN1KMT2AALDH1A1NPC1MAPT
SCHEMBL638144 0.63 NPC1 (0.44) NPC1SMN1; SMN2

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 MEN1 1321/4885KMT2A 382/4885ALDH1A1 2511/4885

“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.