SCHEMBL6838504

SCHEMBL6838504

Cc1ccc2c(c1)nc(C(F)(F)F)c1nc(-c3ccc[nH]3)n(CCC3CCNCC3)c12

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KHK P50053 2/20 0.33
P2RY6 Q15077 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRA2A P08913 1/20 0.31
HTR2C P28335 1/20 0.31
AXL P30530 1/20 0.31
HRH1 P35367 1/20 0.31
HTR2B P41595 1/20 0.31
HTR6 P50406 1/20 0.31
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
NPY1R P25929 2/20 0.31
PIM1 P11309 1/20 0.31
ACP1 P24666 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
SCHEMBL7500056 0.91 NPY1R (0.38) NPY1RPIM1ACP1
SCHEMBL6838596 0.91 CCR3 (0.34) NPY1RACP1
SCHEMBL6838715 0.89 ACP1 (0.37) KHKADRB2NPY1RACP1
SCHEMBL6833745 0.87 ADRB2 (0.35) KHKP2RY6ADRB2ADRA2AHTR2C
SCHEMBL6833817 0.87 KHK (0.38) KHKADRB2ADRA2AHTR2CAXL
SCHEMBL6838398 0.86 SLC6A2 (0.32) P2RY6HRH1ACP1
SCHEMBL6838737 0.85 JAK2 (0.32) KHKADRB2ADRA2AHTR2CAXL
SCHEMBL6838649 0.84 NPY1R (0.38) NPY1R
SCHEMBL6838074 0.84 ALDH1A1 (0.33) KHKADRB2ADRA2AHTR2CAXL
SCHEMBL6840088 0.84 MAPT (0.35) KHKADRB2ADRA2AHTR2CAXL

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 KHK 1595/4885P2RY6 3159/4885ADRB2 521/4885

“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.