SCHEMBL85047

SCHEMBL85047

c1ccc(-c2ncc(-c3ccncc3)[nH]2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 6/20 1.00
SCN2A Q99250 6/20 0.81
HPGDS O60760 8/20 0.79
JAK2 O60674 1/20 0.61

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
SCHEMBL17269682 1.00 NPY5R (1.00) NPY5RSCN2AHPGDSJAK2
SCHEMBL2174976 0.90 SCN2A (1.00) NPY5RSCN2AHPGDS
SCHEMBL2315197 0.89 HPGDS (1.00) NPY5RSCN2AHPGDS
SCHEMBL17283469 0.88 SCN2A (0.96) NPY5RSCN2AHPGDS
SCHEMBL27815625 0.84 NPY5R (0.87) NPY5RSCN2AHPGDS
SCHEMBL10773462 0.82 NPY5R (0.70) NPY5RSCN2AHPGDSJAK2
SCHEMBL27817123 0.80 SCN2A (0.79) NPY5RSCN2AHPGDS
SCHEMBL27843962 0.80 SCN2A (0.79) NPY5RSCN2AHPGDS
SCHEMBL27815623 0.80 SCN2A (0.79) NPY5RSCN2AHPGDS
SCHEMBL32681493 0.79 SCN2A (0.71) NPY5RSCN2AHPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865732-B2 Heterocyclic compounds and uses thereof NOVARTIS AG (CH) 2014-10-21 US disclosed
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof NOVARTIS AG (CH) 2013-08-15 US disclosed
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 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 (2 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-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS NPY5R 4815/4885SCN2A 4768/4885HPGDS 1701/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS NPY5R 4838/4885SCN2A 4037/4885HPGDS 868/4885

“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.