SCHEMBL3960940

SCHEMBL3960940

O=c1ccc2ncccc2n1CCN1CCC(NCc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.51
ACHE P22303 2/20 0.51
BACE1 P56817 2/20 0.51
KCNH2 Q12809 13/20 0.51
TEAD1 P28347 1/20 0.46
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43

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
SCHEMBL3960494 0.88 KCNH2 (0.51) KCNH2
SCHEMBL3961591 0.88 KCNH2 (0.57) BCHEACHEBACE1KCNH2
SCHEMBL3956033 0.86 KCNH2 (0.59) KCNH2
SCHEMBL3964812 0.85 KCNH2 (0.66) BCHEACHEBACE1KCNH2
SCHEMBL3963931 0.83 KCNH2 (0.57) KCNH2
SCHEMBL3959952 0.83 KCNH2 (0.71) KCNH2
SCHEMBL3959456 0.83 KCNH2 (0.53) KCNH2
SCHEMBL3961690 0.83 KCNH2 (0.55) KCNH2CARM1PRMT6
SCHEMBL3962074 0.83 KCNH2 (0.56) KCNH2CARM1PRMT6
SCHEMBL3962702 0.83 KCNH2 (0.55) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110319424-A1 NAPHTHYRIDIN-2(1H) -ONE COMPOUNDS USEFUL AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2011-12-29 US claimed
US-20110319424-A1 NAPHTHYRIDIN-2(1H) -ONE COMPOUNDS USEFUL AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2011-12-29 US disclosed
US-20110319424-A1 NAPHTHYRIDIN-2(1H) -ONE COMPOUNDS USEFUL AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2011-12-29 US disclosed
EP-2080761-A1 Compounds GLAXO GROUP LIMITED (GB) 2009-07-22 EP disclosed
EP-2080761-A1 Compounds GLAXO GROUP LIMITED (GB) 2009-07-22 EP 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-20110319424-A1 NAPHTHYRIDIN-2(1H) -ONE COMPOUNDS USEFUL AS ANTIBACTERIALS RIF1, MRPL21, NAT1 BCHE 4222/4885ACHE 2050/4885BACE1 2556/4885

“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.