SCHEMBL5510647

SCHEMBL5510647

C[Si](C)(C)CCOCn1nc(-c2nc3ccccc3n2COCC[Si](C)(C)C)c2cc(-c3ccccc3F)ccc21

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.38
HSD17B10 Q99714 5/20 0.38
NPC1 O15118 3/20 0.38
TP53 P04637 3/20 0.38
ALDH1A1 P00352 3/20 0.38
RAB9A P51151 2/20 0.38
HPGD P15428 2/20 0.38
MAPK1 P28482 1/20 0.38
ALOX5AP P20292 4/20 0.36
FEN1 P39748 4/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
DGAT1 O75907 2/20 0.35
RECQL P46063 1/20 0.35
GAA P10253 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
PTGER4 P35408 1/20 0.33
DHODH Q02127 1/20 0.33

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
SCHEMBL5518836 0.88 KDM4E (0.44) KDM4EHSD17B10NPC1TP53ALDH1A1
SCHEMBL5518847 0.84 KDM4E (0.39) KDM4EHSD17B10NPC1TP53ALDH1A1
SCHEMBL3538698 0.84 HSD17B10 (0.43) KDM4EHSD17B10NPC1TP53ALDH1A1
SCHEMBL5522745 0.83 KDM4E (0.44) KDM4EHSD17B10NPC1TP53ALDH1A1
SCHEMBL5253124 0.79 KDM4E (0.39) KDM4EHSD17B10NPC1TP53ALDH1A1
SCHEMBL5249126 0.78 KDM4E (0.39) KDM4EHSD17B10NPC1TP53ALDH1A1
SCHEMBL3536514 0.78 DRD3 (0.44) KDM4EHSD17B10NPC1TP53ALDH1A1
SCHEMBL5251150 0.76 KDM4E (0.42) KDM4EHSD17B10NPC1TP53ALDH1A1
SCHEMBL5517457 0.75 MAPT (0.40) KDM4EHSD17B10NPC1ALDH1A1RAB9A
SCHEMBL5517468 0.75 MAPT (0.40) KDM4EHSD17B10NPC1TP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7232912-B2 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. (US) 2007-06-19 US disclosed
US-7232912-B2 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. (US) 2007-06-19 US disclosed
US-7232912-B2 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. (US) 2007-06-19 US disclosed
US-20060111322-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. 2006-05-25 US disclosed
US-20050239855-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. 2005-10-27 US disclosed
US-6919461-B2 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. (US) 2005-07-19 US disclosed
US-20030139463-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation REICH SIEGFRIED HEINZ (US) 2003-07-24 US disclosed
US-6555539-B2 For treating cancer and other disease states associated with unwanted angiogenesis and/or cellular proliferation such as diabetic retinopathy, neovascular glaucoma, rheumatoid arthritis, psoriasis AGOURON PHARMACEUTICALS 2003-04-29 US disclosed
US-20020161022-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS 2002-10-31 US disclosed
EP-1250326-A2 INDAZOLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND THEIR USE FOR MEDIATING OR INHIBITING CELL PROLIFERATION AGOURON PHARMACEUTICALS, INC. (US) 2002-10-23 EP disclosed
WO-2001053268-A2 INDAZOLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND THEIR USE FOR MEDIATING OR INHIBITING CELL PROLIFERATION AGOURON PHARMACEUTICALS, INC. (US) 2001-07-26 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 (4 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-20050239855-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, MKI67, ROCK1 KDM4E 2501/4885HSD17B10 3499/4885NPC1 2507/4885
US-20020161022-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, MKI67, ROCK1 KDM4E 2501/4885HSD17B10 3499/4885NPC1 2507/4885
US-20030139463-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, MKI67, ROCK1 KDM4E 2501/4885HSD17B10 3499/4885NPC1 2507/4885
US-20060111322-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation MKI67, CCNI, CDK3 KDM4E 2084/4885HSD17B10 1552/4885NPC1 244/4885

“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.