SCHEMBL5247809

SCHEMBL5247809

Fc1cc(F)cc(C=Cn2ncc3ccc(-c4ccncc4)cc32)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 12/20 0.48
CYP21A2 P08686 11/20 0.48
CYP11B1 P15538 10/20 0.48
CHEK1 O14757 2/20 0.44
HTR6 P50406 6/20 0.38
CYP3A4 P08684 4/20 0.34
CYP19A1 P11511 4/20 0.34
CDK1 P06493 1/20 0.34
CDK4 P11802 1/20 0.34
CCNA2 P20248 1/20 0.34
CCND1 P24385 1/20 0.34
CDK2 P24941 1/20 0.34
CCND3 P30281 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
SCHEMBL5250743 0.89 CHEK1 (0.47) CYP17A1CYP21A2CYP11B1CHEK1HTR6
SCHEMBL5252277 0.85 HTR6 (0.43) CYP17A1CYP21A2CYP11B1CHEK1HTR6
SCHEMBL5247480 0.84 CHEK1 (0.43) CYP17A1CYP21A2CYP11B1CHEK1HTR6
SCHEMBL5251088 0.82 CHEK1 (0.44) CYP17A1CYP21A2CYP11B1CHEK1HTR6
SCHEMBL5250016 0.82 CHEK1 (0.47) CYP17A1CYP21A2CYP11B1CHEK1HTR6
SCHEMBL5248603 0.81 CHEK1 (0.48) CYP17A1CYP11B1CHEK1HTR6CYP3A4
SCHEMBL5248459 0.81 CHEK1 (0.45) CYP17A1CYP21A2CYP11B1CHEK1HTR6
SCHEMBL5250377 0.81 CHEK1 (0.45) CHEK1HTR6CDK1CDK4CCNA2
SCHEMBL5254385 0.81 CHEK1 (0.46) CHEK1HTR6CDK1CDK4CCNA2
SCHEMBL5254641 0.80 CYP1A2 (0.41) CYP17A1CHEK1HTR6CYP3A4

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 10 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
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

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 CYP17A1 1589/4885CYP21A2 2165/4885CYP11B1 769/4885
US-20050124662-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use CDK3, BRAF, ROCK1 CYP17A1 1589/4885CYP21A2 2165/4885CYP11B1 769/4885
US-20040220248-A1 INDAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PROTEIN KINASES, AND METHODS FOR THEIR USE CDK3, BRAF, ROCK1 CYP17A1 1589/4885CYP21A2 2165/4885CYP11B1 769/4885

“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.