SCHEMBL8230876

SCHEMBL8230876

CCCCNC(=O)c1ccc2c(c1)nc(NC(=O)c1cccc(N)c1)n2CCCOC

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 11/20 0.79
▸ IRAK4 Q9NWZ3 2/20 0.52
▸ EHMT2 Q96KQ7 1/20 0.52
▸ ITK Q08881 3/20 0.51
▸ STING1 Q86WV6 1/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ USP2 O75604 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ APAF1 O14727 1/20 0.51
▸ NSD2 O96028 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ THRB P10828 1/20 0.51

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
SCHEMBL8232572 0.94 ADORA2A (0.69) ADORA2AEHMT2ITK
SCHEMBL8232144 0.88 ADORA2A (0.65) ADORA2AEHMT2ITKSTING1TP53
SCHEMBL8225590 0.88 EHMT2 (0.66) ADORA2AEHMT2ITK
SCHEMBL1467861 0.88 ADORA2A (1.00) ADORA2AIRAK4ITK
SCHEMBL8249497 0.87 ADORA2A (0.80) ADORA2AKDM4EKMT2AHSD17B10APAF1
SCHEMBL8231257 0.84 ADORA2A (0.89) ADORA2AEHMT2ITKKMT2AMEN1
SCHEMBL1468359 0.83 ADORA2A (0.66) ADORA2AKDM4EKMT2AHSD17B10MEN1
SCHEMBL8245612 0.83 ADORA2A (0.73) ADORA2AIRAK4KDM4EKMT2AHSD17B10
SCHEMBL8233912 0.83 ADORA2A (0.79) ADORA2AEHMT2ITK
SCHEMBL8233481 0.83 ADORA2A (0.66) ADORA2AIRAK4EHMT2ITK

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-20110071130-A1 2-AMINOBENZIMIDAZOLES FOR TREATING NEURODEGENERATIVE DISEASES PHARMACOPEIA, INC. (US) 2011-03-24 — — US disclosed
WO-2007133983-A2 2-AMINOBENZIMIDAZOLES FOR TREATING NEURODEGENERATIVE DISEASES PHARMACOPEIA, INC. (US) 2007-11-22 — — 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 (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-20110071130-A1 2-AMINOBENZIMIDAZOLES FOR TREATING NEURODEGENERATIVE DISEASES ADORA2A, ADORA2B, ADORA1 ADORA2A 1/4885IRAK4 380/4885EHMT2 1703/4885

“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.

Send feedback