SCHEMBL13063330

SCHEMBL13063330

c1ccc2cc(CNC3=NCCN3)ccc2c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.58
NFKB1 P19838 1/20 0.58
TAAR1 Q96RJ0 1/20 0.58
PTGIR P43119 1/20 0.52
WDR5 P61964 10/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NLRP3 Q96P20 1/20 0.49
NISCH Q9Y2I1 2/20 0.48
LMNA P02545 2/20 0.45
GAA P10253 1/20 0.45
APOBEC3A P31941 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44

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
SCHEMBL10054979 0.82 PTGIR (0.69) PTGIRWDR5SMN1; SMN2NLRP3LMNA
SCHEMBL17974342 0.82 CYP2D6 (0.51) CYP2D6NFKB1TAAR1PTGIRWDR5
SCHEMBL3169468 0.81 PTGIR (0.60) CYP2D6TAAR1PTGIRWDR5SMN1; SMN2
SCHEMBL8152769 0.78 WDR5 (0.69) CYP2D6PTGIRWDR5
SCHEMBL6666027 0.77 WDR5 (0.65) CYP2D6PTGIRWDR5NISCHLMNA
SCHEMBL6300545 0.77 WDR5 (0.53) CYP2D6PTGIRWDR5SMN1; SMN2NLRP3
Iodide SCHEMBL3180056 0.77 WDR5 (0.67) CYP2D6PTGIRWDR5
SCHEMBL13063072 0.77 WDR5 (0.55) PTGIRWDR5NISCH
SCHEMBL17188814 0.77 WDR5 (0.56) PTGIRWDR5SMN1; SMN2NLRP3LMNA
SCHEMBL4032956 0.76 PTGIR (0.62) PTGIRWDR5SMN1; SMN2NLRP3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858653-B2 2-imidazoles HOFFMAN-LA ROCHE INC. (US) 2010-12-28 US disclosed
US-20080146634-A1 2-IMIDAZOLES HOFFMANN-LA ROCHE INC. 2008-06-19 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-20080146634-A1 2-IMIDAZOLES ABL1, H1-2, IPO4 CYP2D6 158/4885NFKB1 3166/4885TAAR1 890/4885

“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.