SCHEMBL6026939

SCHEMBL6026939

Nc1ccc(-c2cnc(-c3ccc(N)cc3)[nH]2)cc1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 7/20 0.64
SCN2A Q99250 6/20 0.64
HPGDS O60760 4/20 0.51
TRPV1 Q8NER1 1/20 0.51
NQO2 P16083 1/20 0.48
ASIC3 Q9UHC3 1/20 0.47
MASP2 O00187 1/20 0.47

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
SCHEMBL31614566 0.91 SCN2A (0.73) NPY5RSCN2AHPGDSTRPV1
SCHEMBL6027461 0.84 SCN2A (0.56) NPY5RSCN2AHPGDS
SCHEMBL6887923 0.84 SCN2A (0.56) NPY5RSCN2AHPGDSMASP2
SCHEMBL6026722 0.84 SCN2A (0.58) NPY5RSCN2A
SCHEMBL17283469 0.81 SCN2A (0.96) NPY5RSCN2AHPGDSNQO2MASP2
SCHEMBL4053949 0.81 MASP2 (0.70) NPY5RSCN2ATRPV1ASIC3MASP2
SCHEMBL1180501 0.79 SCN2A (0.64) NPY5RSCN2AHPGDSTRPV1NQO2
SCHEMBL22668206 0.79 SCN2A (0.86) NPY5RSCN2AHPGDSTRPV1
Hydrochloric Acid SCHEMBL4061012 0.79 MASP2 (0.68) NPY5RSCN2ATRPV1ASIC3MASP2
SCHEMBL6027412 0.78 SCN2A (0.42) NPY5RSCN2AHPGDSTRPV1NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1613310-A1 IMIDAZOLE DERIVATIVES FOR TREATMENT OF ALLERGIC AND HYPERPROLIFERATIVE DISORDERS Avanir Pharmaceuticals (US) 2006-01-11 EP disclosed
US-20040229927-A1 Imidazole derivatives for treatment of allergic and hyperproliferative disorders AVANIR PHARMACEUTICALS 2004-11-18 US disclosed
WO-2004091610-A1 IMIDAZOLE DERIVATIVES FOR TREATMENT OF ALLERGIC AND HYPERPROLIFERATIVE DISORDERS AVANIR PHARMACEUTICALS (US) 2004-10-28 WO 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-20040229927-A1 Imidazole derivatives for treatment of allergic and hyperproliferative disorders ICOS, TSLP, IKZF3 NPY5R 4342/4885SCN2A 4668/4885HPGDS 69/4885

“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.