SCHEMBL5253124

SCHEMBL5253124

C[Si](C)(C)CCOCn1nc(-c2nc3ccccc3n2COCC[Si](C)(C)C)c2ccc(I)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.39
HSD17B10 Q99714 5/20 0.39
ALDH1A1 P00352 4/20 0.39
NPC1 O15118 3/20 0.39
TP53 P04637 3/20 0.39
RAB9A P51151 2/20 0.39
HPGD P15428 2/20 0.39
MAPK1 P28482 1/20 0.39
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
RECQL P46063 1/20 0.36
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
PRKACA P17612 2/20 0.34
RPS6KB1 P23443 2/20 0.34
GSK3B P49841 2/20 0.34
ROCK1 Q13464 2/20 0.34
RPS6KA5 O75582 1/20 0.34
NSD2 O96028 1/20 0.34
IDO1 P14902 1/20 0.34

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
SCHEMBL5249126 0.86 KDM4E (0.39) KDM4EHSD17B10ALDH1A1NPC1TP53
SCHEMBL3538698 0.82 HSD17B10 (0.43) KDM4EHSD17B10ALDH1A1NPC1TP53
SCHEMBL5518847 0.82 KDM4E (0.39) KDM4EHSD17B10ALDH1A1NPC1TP53
SCHEMBL5518836 0.82 KDM4E (0.44) KDM4EHSD17B10ALDH1A1NPC1TP53
SCHEMBL5251150 0.79 KDM4E (0.42) KDM4EHSD17B10ALDH1A1NPC1TP53
SCHEMBL5510647 0.79 KDM4E (0.38) KDM4EHSD17B10ALDH1A1NPC1TP53
SCHEMBL6493716 0.78 KDM4E (0.41) KDM4EHSD17B10ALDH1A1NPC1TP53
SCHEMBL5522745 0.78 KDM4E (0.44) KDM4EHSD17B10ALDH1A1NPC1TP53
SCHEMBL5248181 0.77 KDM4E (0.40) KDM4EHSD17B10ALDH1A1NPC1TP53
SCHEMBL5247838 0.76 NPC1 (0.36) NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1614683-B1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMA (US) 2007-11-21 EP disclosed
EP-1218348-B1 INDAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PROTEIN KINASES, AND METHODS FOR THEIR USE AGOURON PHARMA (US) 2007-10-24 EP disclosed
US-7141587-B2 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2006-11-28 US disclosed
EP-1614683-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2006-01-11 EP disclosed
US-20050124662-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS. INC. 2005-06-09 US disclosed
US-6884890-B2 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2005-04-26 US disclosed
EP-1218348-A2 INDAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PROTEIN KINASES, AND METHODS FOR THEIR USE AGOURON PHARMACEUTICALS, INC. (US) 2002-07-03 EP disclosed
WO-2001002369-A2 INDAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PROTEIN KINASES, AND METHODS FOR THEIR USE AGOURON PHARMACEUTICALS, INC. (US) 2001-01-11 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 (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-20050124662-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use CDK3, BRAF, ROCK1 KDM4E 2368/4885HSD17B10 4297/4885ALDH1A1 2836/4885

“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.