SCHEMBL1468359

SCHEMBL1468359

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 5/20 0.66
▸ HPGD P15428 5/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ APAF1 O14727 1/20 0.54
▸ NSD2 O96028 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ THRB P10828 1/20 0.54
▸ CASP1 P29466 1/20 0.54
▸ RECQL P46063 1/20 0.54
▸ BLM P54132 1/20 0.54
▸ CASP7 P55210 1/20 0.54
▸ ATM Q13315 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ LMNA P02545 2/20 0.52
▸ TP53 P04637 2/20 0.52
▸ TLR8 Q9NR97 1/20 0.49

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
SCHEMBL8230876 0.83 ADORA2A (0.79) ADORA2AHPGDKDM4EALDH1A1KMT2A
SCHEMBL22382554 0.79 HPGD (0.55) ADORA2AHPGDKMT2AMAPTTDP1
SCHEMBL1467861 0.78 ADORA2A (1.00) ADORA2A
SCHEMBL2362229 0.78 KDM4E (0.58) ADORA2AHPGDKDM4EALDH1A1KMT2A
SCHEMBL5369293 0.77 ADORA2A (0.82) ADORA2A
SCHEMBL8232572 0.76 ADORA2A (0.69) ADORA2A
SCHEMBL22382310 0.75 PTGER4 (0.63) ADORA2AKDM4EALDH1A1KMT2AMAPT
SCHEMBL19436514 0.73 KDM4E (0.56) ADORA2AKDM4EKMT2ATLR8PTGER4
SCHEMBL16509700 0.73 TSHR (0.59) ADORA2AHPGDKDM4EKMT2AGAA
Bromide SCHEMBL23227960 0.73 KDM4E (0.55) ADORA2AKDM4EKMT2ATLR8PTGER4

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 5 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
US-20110071130-A1 2-AMINOBENZIMIDAZOLES FOR TREATING NEURODEGENERATIVE DISEASES PHARMACOPEIA, INC. (US) 2011-03-24 — — US disclosed
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
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 1/4885HPGD 1570/4885KDM4E 2728/4885

“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.

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