SCHEMBL3220152

SCHEMBL3220152

CN(C)c1nc(N)cc(=O)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.55
BLM P54132 1/20 0.55
PIK3CB P42338 1/20 0.47
SCN9A Q15858 5/20 0.41
SCN5A Q14524 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
NUDT1 P36639 1/20 0.40
PDE2A O00408 3/20 0.37
MAPT P10636 2/20 0.37
GRIN2C Q14957 1/20 0.37
ATM Q13315 1/20 0.37
BACE1 P56817 1/20 0.37

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
SCHEMBL10666592 0.79 CYP3A4 (0.50) CYP3A4BLMSCN9ASCN5AMEN1
SCHEMBL3220141 0.74 PDE2A (0.48) PDE2A
SCHEMBL7161983 0.72
SCHEMBL10664400 0.72 NUDT1 (0.40) CYP3A4BLMPIK3CBMEN1KMT2A
SCHEMBL11497510 0.72 CYP3A4 (0.46) CYP3A4BLMSCN9ASCN5AMEN1
SCHEMBL18247929 0.72 PDE2A (0.51) PDE2A
SCHEMBL466114 0.72
SCHEMBL8723531 0.68
SCHEMBL6777122 0.68 CYP3A4 (0.55) CYP3A4BLMSCN9ASCN5AMEN1
SCHEMBL12660894 0.68 CYP3A4 (0.55) CYP3A4BLMSCN9ASCN5AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7812041-B2 Heterocyclic NF-κB inhibitors 4SC AG (DE) 2010-10-12 US disclosed
US-20100048583-A1 Novel Heterocyclic NF-kB Inhibitors 4SC AG (DE) 2010-02-25 US disclosed
US-20080261971-A1 Novel Heterocyclic Nf-Kb Inhibitors 4SC AG (DE) 2008-10-23 US disclosed
US-20060069102-A1 Novel heterocyclic NF-kB inhibitors 4 SC AG (DE) 2006-03-30 US disclosed
US-4739053-A CHARGE CARRIER-TRANSPORTING COMPOUNDS; ELECTROGRAPHY BASF AKTIENGESELLSCHAFT (DE) 1988-04-19 US disclosed
EP-0185346-A2 Imidazo derivatives, their preparation and medicaments containing these compounds Dr. Karl Thomae GmbH (DE) 1986-06-25 EP disclosed
US-4302586-A FLUORESCENT WHITENERS CIBA-GEIGY CORPORATION (US) 1981-11-24 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 (3 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-20100048583-A1 Novel Heterocyclic NF-kB Inhibitors NFKBIA, NFKB2, NFRKB CYP3A4 2254/4885BLM 2971/4885PIK3CB 2710/4885
US-20080261971-A1 Novel Heterocyclic Nf-Kb Inhibitors NFKBIA, NFKB2, NFRKB CYP3A4 2150/4885BLM 2919/4885PIK3CB 2751/4885
US-20060069102-A1 Novel heterocyclic NF-kB inhibitors NFKBIA, NFKB2, NFRKB CYP3A4 2199/4885BLM 3033/4885PIK3CB 2887/4885

“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.