SCHEMBL4792557

SCHEMBL4792557

NC(=O)Cc1nc2c(N)nccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.42
MAOB P27338 6/20 0.40
MAOA P21397 3/20 0.40
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
POLB P06746 1/20 0.34
PTGES O14684 1/20 0.34
CDK5 Q00535 3/20 0.34
CDK5R1 Q15078 3/20 0.34
KMT2A Q03164 2/20 0.34
ITK Q08881 1/20 0.34
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
SIRT1 Q96EB6 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
VCP P55072 2/20 0.33
ULK1 O75385 1/20 0.33
CDK7 P50613 1/20 0.33

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
SCHEMBL4060561 0.74 NUDT1 (0.51) ALDH1A1KMT2AITK
SCHEMBL563860 0.72 CDK5 (0.40) ALDH1A1MAPTCDK5CDK5R1KMT2A
SCHEMBL841808 0.71 CDK5 (0.59) ALDH1A1MAPTCDK5CDK5R1KMT2A
SCHEMBL14529005 0.70 PTGES (0.51) CHEK1MAOBPTGESKDM4E
SCHEMBL8295987 0.68 PARP1 (0.44) CDK5CDK5R1HTTULK1CDK7
SCHEMBL2207637 0.68 MAPT (0.63) ALDH1A1MAPTPOLBLMNASMN1; SMN2
SCHEMBL30343700 0.68 MAPT (0.63) ALDH1A1MAPTPOLBLMNASMN1; SMN2
SCHEMBL15918408 0.67 MAPT (0.39) CHEK1MAOBMAOAALDH1A1MAPT
Hydrochloric Acid SCHEMBL2211742 0.67 ALDH1A1 (0.66) ALDH1A1MAPTPOLBLMNASMN1; SMN2
SCHEMBL3123736 0.65 ALDH1A1 (0.50) ALDH1A1MAPTPOLBLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513524-A4 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES CO (US) 2008-09-03 EP disclosed
US-7220758-B2 Ether substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-05-22 US disclosed
US-20060252792-A1 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY 2006-11-09 US disclosed
US-7125890-B2 Ether substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-10-24 US disclosed
EP-1513524-A2 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M Innovative Properties Company (US) 2005-03-16 EP disclosed
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors 3M INNOVATIVE PROPERTIES COMPANY 2005-02-10 US disclosed
US-6797718-B2 Ether substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY 2004-09-28 US disclosed
US-20040010007-A1 Ether substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY 2004-01-15 US disclosed
WO-2003103584-A2 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-12-18 WO 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-20060252792-A1 ETHER SUBSTITUTED IMIDAZOPYRIDINES IL2, IL4, MYD88 CHEK1 3060/4885MAOB 4755/4885MAOA 4779/4885
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors IL2, IFNG, TSLP CHEK1 2730/4885MAOB 4695/4885MAOA 4782/4885
US-20040010007-A1 Ether substituted imidazopyridines IL2, IL4, MYD88 CHEK1 3060/4885MAOB 4755/4885MAOA 4779/4885

“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.