SCHEMBL2956685

SCHEMBL2956685

CN(C)c1nn(C)c(=O)c2ncn(Cc3ccccc3)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
PDE4A P27815 3/20 0.47
PDE4B Q07343 2/20 0.47
PDE4C Q08493 2/20 0.47
PDE4D Q08499 2/20 0.47
PDE3B Q13370 2/20 0.47
PDE3A Q14432 2/20 0.47
HTT P42858 1/20 0.47
GRM1 Q13255 1/20 0.47
POLB P06746 1/20 0.46
HIF1A Q16665 1/20 0.46
PDE1A P54750 2/20 0.44
PDE1B Q01064 2/20 0.44
PDE1C Q14123 2/20 0.44
PARN O95453 1/20 0.43
CNOT7 Q9UIV1 1/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL2958236 0.83 SMN1; SMN2 (0.53) ADORA2BSMN1; SMN2RXFP1PDE4APDE4B
SCHEMBL2958788 0.77 HPGD (0.41) SMN1; SMN2HTTPOLBKDM4EALDH1A1
SCHEMBL9199927 0.68 PDE4A (0.50) ADORA2BSMN1; SMN2RXFP1PDE4APDE4B
SCHEMBL9197327 0.68 ADORA3 (0.53) ADORA2BSMN1; SMN2RXFP1PDE4APDE4B
SCHEMBL556216 0.68 SMN1; SMN2 (0.80) ADORA2BSMN1; SMN2RXFP1PDE4APDE4B
SCHEMBL23461937 0.67 PNP (0.53) ADORA2BSMN1; SMN2RXFP1PDE4APARN
SCHEMBL1944405 0.67 ADORA2B (1.00) ADORA2BSMN1; SMN2RXFP1HTTPOLB
SCHEMBL23974576 0.67 SMN1; SMN2 (0.63) ADORA2BSMN1; SMN2RXFP1HTTPOLB
SCHEMBL7011737 0.67 LMNA (0.48) SMN1; SMN2POLBKDM4EALDH1A1
SCHEMBL9204643 0.67 PGR (0.52) ADORA2BSMN1; SMN2RXFP1PDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772226-B2 Condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-10 US disclosed
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-15 US disclosed
US-20060100199-A1 Novel condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-05-11 US disclosed
US-20060063787-A1 Condensed imidazole derivatives EISAI CO., LTD. (JP) 2006-03-23 US disclosed
EP-1514552-A1 NOVEL FUSED IMIDAZOLE DERIVATIVE Eisai Co., Ltd. (JP) 2005-03-16 EP disclosed
US-20040116328-A1 Condensed imidazole derivatives EISAI CO., LTD. (JP) 2004-06-17 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-20060100199-A1 Novel condensed imidazole derivatives H1-2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-4 ADORA2B 2777/4885SMN1; SMN2 4223/4885RXFP1 1119/4885
US-20060063787-A1 Condensed imidazole derivatives DPP4, HDAC1, DPP7 ADORA2B 1370/4885SMN1; SMN2 3923/4885RXFP1 1112/4885
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 ADORA2B 1370/4885SMN1; SMN2 3923/4885RXFP1 1112/4885

“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.