SCHEMBL6840146

SCHEMBL6840146

Cc1ccc2c(c1)nc(C(F)(F)F)c1nc(-c3ccc(O)cc3)n(CCC3CCNCC3)c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.35
METAP2 P50579 1/20 0.34
CTSS P25774 7/20 0.33
KHK P50053 1/20 0.32
CTSK P43235 2/20 0.32
KDM1A O60341 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRA2A P08913 1/20 0.32
HTR2C P28335 1/20 0.32
AXL P30530 1/20 0.32
HRH1 P35367 1/20 0.32
HTR2B P41595 1/20 0.32
HTR6 P50406 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
NPY1R P25929 1/20 0.31
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
BRD4 O60885 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
SCHEMBL6833817 0.91 KHK (0.38) METAP2KHKADRB2ADRA2AHTR2C
SCHEMBL6833924 0.91 ADORA1 (0.33) KHKKDM1ANPY1RPTGER4
SCHEMBL6837773 0.90 NPY1R (0.38) CTSSNPY1RTLR8TLR7CNR2
SCHEMBL6838553 0.90 ACP1 (0.38) METAP2CTSSKDM1ANPY1R
SCHEMBL6838393 0.86 CASR (0.37) KHKNPY1R
SCHEMBL6840049 0.85 ALDH1A1 (0.38) KHKKDM1ANPY1RPTGER4
SCHEMBL6838674 0.85 ADRB2 (0.39) KHKADRB2ADRA2AHTR2CAXL
SCHEMBL6838690 0.84 CYP1A2 (0.36)
SCHEMBL6838504 0.83 KHK (0.33) KHKADRB2ADRA2AHTR2CAXL
SCHEMBL7493132 0.83 ACP1 (0.38) KHKKDM1AADRB2NPY1R

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 DHODH 2130/4885METAP2 1217/4885CTSS 2702/4885

“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.