SCHEMBL5249698

SCHEMBL5249698

Nc1cccc(Nc2ccc3cnn(C=Cc4ccccc4)c3c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.47
MAPT P10636 3/20 0.47
GFER P55789 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP19A1 P11511 2/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
BTK Q06187 1/20 0.38
PRMT5 O14744 1/20 0.36
SYK P43405 1/20 0.36
SRC P12931 5/20 0.36
ABL1 P00519 3/20 0.36
BCR P11274 2/20 0.36
EGFR P00533 1/20 0.36
PRKACA P17612 1/20 0.36

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
SCHEMBL5249048 0.80 CHEK1 (0.49) KDRMAPTGFERMEN1GAA
SCHEMBL5249958 0.80 CHEK1 (0.49) KDRMAPTGFERMEN1GAA
SCHEMBL5256522 0.74 KHK (0.39) SRCABL1IRAK4
SCHEMBL6710657 0.73 SRC (0.35) SRCABL1
SCHEMBL6710656 0.73 SRC (0.35) SRCABL1
SCHEMBL28938204 0.73 RECQL (0.42) MAPTKDM4EMEN1LMNAGAA
SCHEMBL27489688 0.73 KDR (0.55) KDRNPC1
SCHEMBL5250446 0.73 KDR (0.55) KDRNPC1
SCHEMBL7550492 0.71 KDR (0.43) KDRMAPTLMNASRCABL1
SCHEMBL7550488 0.71 KDR (0.43) KDRMAPTLMNASRCABL1

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 KDR 60/4885MAPT 812/4885GFER 4225/4885
US-20050124662-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use CDK3, BRAF, ROCK1 KDR 60/4885MAPT 812/4885GFER 4225/4885
US-20040220248-A1 INDAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PROTEIN KINASES, AND METHODS FOR THEIR USE CDK3, BRAF, ROCK1 KDR 60/4885MAPT 812/4885GFER 4225/4885

“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.