SCHEMBL6838592

SCHEMBL6838592

Cc1ccc2c(c1)nc(C(F)(F)F)c1nc(-c3nccs3)n(CCN3CCNCC3)c12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.34
ADRA2A P08913 1/20 0.34
HTR2C P28335 1/20 0.34
AXL P30530 1/20 0.34
HRH1 P35367 1/20 0.34
HTR2B P41595 1/20 0.34
HTR6 P50406 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
NCF1 P14598 1/20 0.32
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
CREBBP Q92793 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL6837688 0.92 SLC6A2 (0.36) ADRB2HTR6NCF1SLC6A2SLC6A4
SCHEMBL6838395 0.91 EIF4EBP1 (0.35) ADRB2HTR6NCF1LMNAKCNH2
SCHEMBL6833689 0.87 HCRTR1 (0.31) ADRB2ADRA2AHTR2CAXLHRH1
SCHEMBL6837935 0.85 HTR6 (0.36) ADRB2ADRA2AHTR2CAXLHRH1
SCHEMBL6833841 0.84 NCF1 (0.34) HTR6KDM4EALDH1A1NCF1LMNA
SCHEMBL6838063 0.84 ADRB2 (0.35) ADRB2ADRA2AHTR2CAXLHRH1
SCHEMBL6839980 0.83 ADRB2 (0.39) ADRB2ADRA2AHTR2CAXLHRH1
SCHEMBL6838676 0.82 JAK1 (0.31)
SCHEMBL6833745 0.81 ADRB2 (0.35) ADRB2ADRA2AHTR2CAXLHRH1
SCHEMBL6833709 0.80 HRH1 (0.36) ADRB2ADRA2AHTR2CAXLHRH1

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-20040054182-A1 1h-imidazopyridine derivatives HOKURIKU SEIYAKU CO., LTD. (JP) 2004-03-18 US disclosed
EP-1256582-A1 1H-IMIDAZOPYRIDINE DERIVATIVES HOKURIKU SEIYAKU CO., LTD. (JP) 2002-11-13 EP 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-20040054182-A1 1h-imidazopyridine derivatives IL2, IL1A, IL4 ADRB2 521/4885ADRA2A 719/4885HTR2C 2403/4885

“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.