SCHEMBL6887923

SCHEMBL6887923

Nc1ccc(-c2cnc(-c3cccc(N)c3)[nH]2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 8/20 0.56
NPY5R Q15761 4/20 0.56
HPGDS O60760 3/20 0.49
ENPP2 Q13822 1/20 0.49
MAP4K4 O95819 2/20 0.47
MASP2 O00187 1/20 0.46
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
BACE1 P56817 1/20 0.45

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
SCHEMBL6027461 0.94 SCN2A (0.56) SCN2ANPY5RHPGDSMAP4K4
SCHEMBL6885064 0.92 SCN2A (0.59) SCN2ANPY5RHPGDSENPP2MAP4K4
SCHEMBL6026939 0.84 NPY5R (0.64) SCN2ANPY5RHPGDSMASP2
SCHEMBL31614566 0.77 SCN2A (0.73) SCN2ANPY5RHPGDSKDM4ENPC1
SCHEMBL20812633 0.76 KDM4E (0.50) ENPP2MAP4K4KDM4ENPC1ALDH1A1
SCHEMBL4056971 0.76 MASP2 (0.67) SCN2AENPP2MAP4K4MASP2KDM4E
SCHEMBL17283469 0.75 SCN2A (0.96) SCN2ANPY5RHPGDSMASP2
Hydrochloric Acid SCHEMBL4053943 0.75 MASP2 (0.65) SCN2AENPP2MAP4K4MASP2KDM4E
SCHEMBL1179895 0.74 SCN2A (0.56) SCN2ANPY5RHPGDS
SCHEMBL7981198 0.73 CYP2A6 (0.56) NPY5RENPP2MAP4K4MASP2KDM4E

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-20040229927-A1 Imidazole derivatives for treatment of allergic and hyperproliferative disorders AVANIR PHARMACEUTICALS 2004-11-18 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-20040229927-A1 Imidazole derivatives for treatment of allergic and hyperproliferative disorders ICOS, TSLP, IKZF3 SCN2A 4668/4885NPY5R 4342/4885HPGDS 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.