SCHEMBL18329397

SCHEMBL18329397

Fc1ccccc1-c1cn2c(n1)CNCCC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.54
CD274 Q9NZQ7 1/20 0.54
WDR5 P61964 3/20 0.47
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36
HTR2B P41595 1/20 0.36
HTR3A P46098 1/20 0.36
HTR6 P50406 1/20 0.36
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
GABRA3 P34903 2/20 0.35
MAP4K1 Q92918 2/20 0.35
TLR9 Q9NR96 1/20 0.35

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
SCHEMBL18329398 0.80 WDR5 (0.65) PDCD1CD274WDR5ALDH1A1KDM4E
SCHEMBL18329393 0.78 WDR5 (0.48) PDCD1CD274WDR5ALDH1A1KDM4E
SCHEMBL2813860 0.77 PDCD1 (0.66) PDCD1CD274WDR5ALDH1A1KDM4E
SCHEMBL18329399 0.76 PDCD1 (0.49) PDCD1CD274WDR5ALDH1A1KDM4E
SCHEMBL15933673 0.76 PDCD1 (0.51) PDCD1CD274WDR5GABRA3TLR9
SCHEMBL929019 0.75 PDCD1 (0.56) PDCD1CD274WDR5HTR7TLR9
SCHEMBL18329402 0.72 NPC1 (0.67) PDCD1CD274WDR5ALDH1A1KDM4E
SCHEMBL2812580 0.72 PDCD1 (0.62) PDCD1CD274ALDH1A1KDM4ELMNA
SCHEMBL18329424 0.72 WDR5 (0.45) PDCD1CD274WDR5ALDH1A1KDM4E
SCHEMBL10749515 0.71 PDCD1 (0.49) PDCD1CD274WDR5TLR9TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10426784-B2 Imidazodiazepine compound ASTELLAS PHARMA INC. (JP) 2019-10-01 US disclosed
EP-3312181-B1 IMIDAZODIAZEPINE COMPOUND ASTELLAS PHARMA INC (JP) 2019-08-07 EP disclosed
US-20180185383-A1 IMIDAZODIAZEPINE COMPOUND ASTELLAS PHARMA INC. (JP) 2018-07-05 US disclosed
US-20180185383-A1 IMIDAZODIAZEPINE COMPOUND ASTELLAS PHARMA INC. (JP) 2018-07-05 US disclosed
EP-3312181-A1 IMIDAZODIAZEPINE COMPOUND Astellas Pharma Inc. (JP) 2018-04-25 EP disclosed
WO-2016204268-A1 IMIDAZODIAZEPINE COMPOUND アステラス製薬株式会社 2016-12-22 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 (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-20180185383-A1 IMIDAZODIAZEPINE COMPOUND HTR1D, DRD2, DRD1 PDCD1 881/4885CD274 885/4885WDR5 2664/4885
US-10426784-B2 Imidazodiazepine compound GRIN2D, HTR1D, DRD2 PDCD1 1093/4885CD274 1145/4885WDR5 1954/4885

“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.