SCHEMBL6846753

SCHEMBL6846753

O=C(Nc1ccc(-n2cccn2)c(C(F)(F)F)c1)c1ccc(F)c(OCc2cccnc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.48
CYP11B2 P19099 2/20 0.48
TEK Q02763 1/20 0.44
SIRT2 Q8IXJ6 2/20 0.43
SIRT1 Q96EB6 2/20 0.43
SIRT3 Q9NTG7 2/20 0.43
LRRK2 Q5S007 2/20 0.42
SRPK3 Q9UPE1 1/20 0.42
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
BRD4 O60885 1/20 0.41
NAMPT P43490 2/20 0.41
HIF1A Q16665 1/20 0.41
EPAS1 Q99814 1/20 0.41
VNN1 O95497 1/20 0.41
ABL1 P00519 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 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
SCHEMBL6841342 0.90 BLM (0.46) CYP11B1CYP11B2TEKLRRK2LMNA
SCHEMBL6844575 0.88 CYP11B1 (0.47) CYP11B1CYP11B2TEKSIRT2SIRT1
SCHEMBL6846847 0.84 MAPT (0.60) MAPTTP53MEN1HTTKMT2A
SCHEMBL6841246 0.84 TP53 (0.47) CYP11B1CYP11B2SIRT2SIRT1SIRT3
SCHEMBL6841242 0.81 MAPT (0.46) CYP11B1CYP11B2MAPTTP53HIF1A
SCHEMBL7493279 0.80 CYP11B1 (0.51) CYP11B1CYP11B2SIRT2SIRT1SIRT3
SCHEMBL7240098 0.77 CYP11B1 (0.40) CYP11B1CYP11B2TEKMAPTTP53
SCHEMBL6841321 0.74 L3MBTL1 (0.48) CYP11B1CYP11B2SIRT2SIRT1SIRT3
SCHEMBL6846883 0.73 MAPT (0.47) SIRT2SIRT1SIRT3MAPTTP53
Hydrochloric Acid SCHEMBL6846824 0.72 MAPT (0.46) SIRT2SIRT1SIRT3MAPTTP53

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 9 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 claimed
EP-1252146-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2002-10-30 EP claimed
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. 2002-08-01 US claimed
WO-2001053274-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2001-07-26 WO claimed
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
EP-1252146-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2002-10-30 EP 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
WO-2001053274-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2001-07-26 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 (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 3107/4885TEK 387/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA CYP11B1 2902/4885CYP11B2 3107/4885TEK 387/4885

“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.