SCHEMBL6835529

SCHEMBL6835529

COc1ccc2c(c1)-c1nc(-c3ccncc3)[nH]c1CCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 15/20 1.00
MAPK13 O15264 2/20 0.49
RAF1 P04049 2/20 0.49
MAPK12 P53778 2/20 0.49
MAPK11 Q15759 2/20 0.49
MAPK14 Q16539 2/20 0.49
TGFBR1 P36897 1/20 0.46
TEK Q02763 2/20 0.46

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
SCHEMBL6836945 0.89 NPY5R (1.00) NPY5RMAPK13RAF1MAPK12MAPK11
SCHEMBL6837065 0.87 NPY5R (1.00) NPY5R
SCHEMBL6835533 0.82 NPY5R (1.00) NPY5RMAPK13RAF1MAPK12MAPK11
SCHEMBL6835590 0.82 NPY5R (1.00) NPY5R
SCHEMBL6835180 0.81 NPY5R (0.69) NPY5RMAPK13RAF1MAPK12MAPK11
SCHEMBL11862464 0.74 NPY5R (0.59) NPY5RTEK
SCHEMBL6831681 0.68 NPY5R (0.52) NPY5R
SCHEMBL4231016 0.68 CYP19A1 (0.85)
SCHEMBL4231019 0.68 CYP19A1 (0.85)
SCHEMBL4231022 0.68 CYP19A1 (0.85)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040198791-A1 Fused imidazole derivative FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-10-07 US 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-20040198791-A1 Fused imidazole derivative H1-0, H1-5, H1-3 NPY5R 983/4885MAPK13 4148/4885RAF1 3612/4885

“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.