SCHEMBL5246772

SCHEMBL5246772

C[Si](C)(C)CCOCn1nc(/C=C/c2ccccc2)c2ccc(-c3ccccc3)cc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 14/20 0.41
CDK4 P11802 2/20 0.36
CCNA2 P20248 2/20 0.36
CCND1 P24385 2/20 0.36
CDK2 P24941 2/20 0.36
CCND3 P30281 2/20 0.36
CDK1 P06493 1/20 0.36
ENPP2 Q13822 1/20 0.34
NPC1 O15118 1/20 0.33
NPM1 P06748 1/20 0.33
ALK Q9UM73 1/20 0.33
KDR P35968 3/20 0.32
PTGS1 P23219 1/20 0.32
EGFR P00533 1/20 0.32
FGFR1 P11362 1/20 0.30

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
SCHEMBL5246778 1.00 CHEK1 (0.41) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL5254941 0.94 CHEK1 (0.45) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL5254945 0.94 CHEK1 (0.45) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL14493368 0.91 CHEK1 (0.39) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL5526396 0.91 CHEK1 (0.39) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL5247014 0.88 ENPP2 (0.33) CHEK1ENPP2NPC1KDREGFR
SCHEMBL5248918 0.88 KDR (0.35) CHEK1ENPP2NPC1KDREGFR
SCHEMBL5248919 0.88 KDR (0.35) CHEK1ENPP2NPC1KDREGFR
SCHEMBL5247020 0.88 ENPP2 (0.33) CHEK1ENPP2NPC1KDREGFR
SCHEMBL5253559 0.88 CHEK1 (0.52) CHEK1NPC1NPM1ALKKDR

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 13 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-6891044-B2 Indazole compounds and pharmaceutical compositions for Inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2005-05-10 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
US-20040220248-A1 INDAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PROTEIN KINASES, AND METHODS FOR THEIR USE KANIA ROBERT STEVEN (US) 2004-11-04 US disclosed
US-20040171634-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, LLC 2004-09-02 US disclosed
US-6534524-B1 Antiproliferative agents, including axitinib AGOURON PHARMACEUTICALS, INC. 2003-03-18 US disclosed
US-6531491-B1 Methods of treating cancer and other disease states associated with unwanted angiogenesis and/or cellular proliferation, such as diabetic retinopathy, neovascular glaucoma, rheumatoid arthritis, and psoriasis, AGOURON PHARAMACEUTICALS, INC. 2003-03-11 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 (3 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-20040171634-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use CDK3, BRAF, ROCK1 CHEK1 320/4885CDK4 10/4885CCNA2 642/4885
US-20050124662-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use CDK3, BRAF, ROCK1 CHEK1 320/4885CDK4 10/4885CCNA2 642/4885
US-20040220248-A1 INDAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PROTEIN KINASES, AND METHODS FOR THEIR USE CDK3, BRAF, ROCK1 CHEK1 320/4885CDK4 10/4885CCNA2 642/4885

“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.