SCHEMBL6844575

SCHEMBL6844575

O=C(Nc1ccc(-n2ccnc2)c(C(F)(F)F)c1)c1ccc(F)c(OCc2cccnc2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.47
CYP11B2 P19099 2/20 0.47
ABL1 P00519 2/20 0.45
CYP1A2 P05177 1/20 0.45
CD38 P28907 1/20 0.45
TEK Q02763 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
SIRT3 Q9NTG7 1/20 0.43
DDR1 Q08345 1/20 0.43
LRRK2 Q5S007 2/20 0.42
GRM4 Q14833 2/20 0.42
BRD4 O60885 1/20 0.42
NAMPT P43490 1/20 0.42
HIF1A Q16665 1/20 0.42
EPAS1 Q99814 1/20 0.42
VNN1 O95497 1/20 0.42
BRAF P15056 1/20 0.41
SRPK3 Q9UPE1 1/20 0.41

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
SCHEMBL6846753 0.88 CYP11B1 (0.48) CYP11B1CYP11B2ABL1TEKSIRT2
SCHEMBL6841342 0.87 BLM (0.46) CYP11B1CYP11B2ABL1TEKDDR1
SCHEMBL6846847 0.85 MAPT (0.60) BRAF
SCHEMBL6841246 0.85 TP53 (0.47) CYP11B1CYP11B2ABL1SIRT2SIRT1
SCHEMBL6841321 0.83 L3MBTL1 (0.48) CYP11B1CYP11B2ABL1CYP1A2SIRT2
SCHEMBL6841242 0.82 MAPT (0.46) CYP11B1CYP11B2HIF1AEPAS1
SCHEMBL6846470 0.81 ABL1 (0.50) ABL1CYP1A2CD38TEKDDR1
SCHEMBL7493279 0.81 CYP11B1 (0.51) CYP11B1CYP11B2ABL1SIRT2SIRT1
SCHEMBL6841333 0.80 ABL1 (0.44) ABL1CD38DDR1GRM4BRAF
SCHEMBL6841384 0.78 ABL1 (0.41) ABL1DDR1BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BENDER STEVEN LEE (US) 2004-05-13 US disclosed
US-6635641-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, INC. 2003-10-21 US disclosed
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. 2002-08-01 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 (2 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-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA CYP11B1 2902/4885CYP11B2 3107/4885ABL1 555/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA CYP11B1 2902/4885CYP11B2 3107/4885ABL1 555/4885

“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.