SCHEMBL6833924

SCHEMBL6833924

Cc1ccc2c(c1)nc(C(F)(F)F)c1nc(-c3cccc(O)c3)n(CCC3CCNCC3)c12

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.33
MET P08581 1/20 0.33
CASR P41180 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
KHK P50053 1/20 0.32
MAPK14 Q16539 1/20 0.32
NPY1R P25929 2/20 0.32
MDM2 Q00987 4/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
ENPP1 P22413 1/20 0.31
HSD17B2 P37059 1/20 0.31
MERTK Q12866 1/20 0.31
PIM3 Q86V86 1/20 0.31
PTGER4 P35408 1/20 0.31
KDM1A O60341 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
SCHEMBL6838600 0.91 NPY1R (0.38) ADORA1CASRHDAC1HDAC8HDAC6
SCHEMBL6840146 0.91 DHODH (0.35) KHKNPY1RPTGER4KDM1A
SCHEMBL6833817 0.91 KHK (0.38) KHKNPY1RMERTKPTGER4
SCHEMBL6838690 0.89 CYP1A2 (0.36) ADORA1MDM2PIM3
SCHEMBL6838393 0.86 CASR (0.37) CASRKHKNPY1R
SCHEMBL6838674 0.84 ADRB2 (0.39) KHKNPY1RMERTKPTGER4
SCHEMBL6838553 0.84 ACP1 (0.38) CASRNPY1RKDM1A
SCHEMBL6838504 0.83 KHK (0.33) KHKNPY1R
SCHEMBL7493132 0.83 ACP1 (0.38) KHKNPY1RMERTKKDM1A
SCHEMBL6840088 0.82 MAPT (0.35) HDAC1KHK

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 ADORA1 2265/4885MET 179/4885CASR 2571/4885

“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.