SCHEMBL6710657

SCHEMBL6710657

C(=Cn1ncc2ccc(ONc3ccccc3)cc21)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRC P12931 7/20 0.35
ABL1 P00519 5/20 0.35
FYN P06241 2/20 0.33
RELA Q04206 1/20 0.33
SGK1 O00141 1/20 0.32
PPARG P37231 1/20 0.32
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 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
SCHEMBL6710656 1.00 SRC (0.35) SRCABL1FYNRELASGK1
SCHEMBL7550492 0.83 KDR (0.43) SRCABL1RELAPPARG
SCHEMBL7550488 0.83 KDR (0.43) SRCABL1RELAPPARG
SCHEMBL5249958 0.77 CHEK1 (0.49) PPARG
SCHEMBL5249048 0.77 CHEK1 (0.49) PPARG
SCHEMBL5247487 0.77 ALK (0.52) RELA
SCHEMBL5256522 0.76 KHK (0.39) SRCABL1RELAHDAC8
SCHEMBL28938204 0.75 RECQL (0.42) SRCABL1FYNRELASGK1
SCHEMBL5249698 0.73 KDR (0.47) SRCABL1
SCHEMBL5252070 0.72 CASP3 (0.46) RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-20040171634-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use CDK3, BRAF, ROCK1 SRC 55/4885ABL1 285/4885FYN 91/4885

“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.