SCHEMBL6848216

SCHEMBL6848216

COc1cc(C=Cc2cc(CNc3cccc(C(=O)Nc4ccccc4)c3)n[nH]2)ccc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
POLB P06746 3/20 0.54
KMT2A Q03164 3/20 0.54
NR1I2 O75469 1/20 0.54
AHR P35869 1/20 0.54
KDM1A O60341 1/20 0.51
MAPT P10636 5/20 0.48
ALOX5 P09917 2/20 0.48
ALOX12 P18054 2/20 0.48
NFKB1 P19838 2/20 0.48
STAT3 P40763 2/20 0.48
NFKB2 Q00653 2/20 0.48
RELA Q04206 2/20 0.48
PTGS2 P35354 2/20 0.48
APP P05067 2/20 0.48
MMP9 P14780 1/20 0.48
KDR P35968 1/20 0.48
PRKCE Q02156 1/20 0.48
PRKCQ Q04759 1/20 0.48
PRKCD Q05655 1/20 0.48

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
SCHEMBL6848212 1.00 MEN1 (0.54) MEN1POLBKMT2ANR1I2AHR
SCHEMBL6846537 0.77 MMP9 (0.54) MEN1POLBKMT2ANR1I2AHR
SCHEMBL6846545 0.77 MMP9 (0.54) MEN1POLBKMT2ANR1I2AHR
SCHEMBL6844746 0.75 MMP9 (0.46) MEN1POLBKMT2ANR1I2AHR
SCHEMBL6844751 0.75 MMP9 (0.46) MEN1POLBKMT2ANR1I2AHR
SCHEMBL10904567 0.71 AURKB (0.72) MEN1POLBKMT2ANR1I2AHR
SCHEMBL1790057 0.69 APP (0.88) MAPTALOX5ALOX12NFKB1STAT3
SCHEMBL1790052 0.69 APP (0.88) MAPTALOX5ALOX12NFKB1STAT3
SCHEMBL1790054 0.69 APP (0.88) MAPTALOX5ALOX12NFKB1STAT3
SCHEMBL30568692 0.69 KDM1A (1.00) MEN1KMT2AKDM1AMAPTAPP

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 MEN1 4396/4885POLB 2588/4885KMT2A 3246/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA MEN1 4396/4885POLB 2588/4885KMT2A 3246/4885

“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.