SCHEMBL6838673

SCHEMBL6838673

Cc1cccc2c1nc(C(F)(F)F)c1nc(-c3nccs3)n(CCC3CCNCC3)c12

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 2/20 0.36
ERN1 O75460 1/20 0.32
MERTK Q12866 1/20 0.31
MDM2 Q00987 1/20 0.31
P2RX7 Q99572 2/20 0.31
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 1/20 0.30
PARP1 P09874 1/20 0.30
PARP2 Q9UGN5 1/20 0.30
PARP14 Q460N5 1/20 0.30

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
SCHEMBL6838657 0.88 NPY1R (0.36) NPY1RERN1MERTKMDM2
SCHEMBL6833841 0.87 NCF1 (0.34) MDM2PARP1PARP2
SCHEMBL6840037 0.87 SSTR4 (0.36)
SCHEMBL6840138 0.86 NPY1R (0.35) NPY1RPARP1PARP2PARP14
SCHEMBL6837707 0.84 MERTK (0.37) NPY1RMERTKPARP1PARP2
SCHEMBL6833689 0.84 HCRTR1 (0.31) NPY1RMDM2
SCHEMBL6838635 0.84 NPY1R (0.37) NPY1RERN1MERTKJAK2JAK1
SCHEMBL6838718 0.82 CCR3 (0.33) NPY1RMDM2
SCHEMBL6838649 0.82 NPY1R (0.38) NPY1RJAK2JAK1TYK2JAK3
SCHEMBL6834013 0.82 NPY1R (0.36) NPY1RMDM2

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 NPY1R 1070/4885ERN1 2046/4885MERTK 2059/4885

“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.