Sugi Predict

Sugi Predict / Compounds / SCHEMBL5334340

SCHEMBL5334340

SCHEMBL5334340

COCCc1nc2c(N)nc(C)cc2n1CCOCCNC(=O)Nc1cccnc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 2/20 0.40
▸ FLT4 P35916 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ HTR2C P28335 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CCNE2 O96020 1/20 0.36
▸ CCNE1 P24864 1/20 0.36
▸ GSK3B P49841 1/20 0.36

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
SCHEMBL5346398 0.93 CDK2 (0.40) CDK2FLT4KDM4EMAPTMEN1
SCHEMBL5348069 0.89 KEAP1 (0.39) CDK2FLT4KDM4EMAPTMEN1
SCHEMBL5343053 0.88 KEAP1 (0.39) CDK2FLT4KDM4EMAPTMEN1
SCHEMBL5340168 0.86 CDK2 (0.42) CDK2FLT4KDM4EMAPTMEN1
SCHEMBL5334329 0.85 CDK2 (0.39) CDK2FLT4KDM4EMAPTMEN1
SCHEMBL5869938 0.82 KEAP1 (0.38) CDK2FLT4KDM4EMAPTMEN1
SCHEMBL5336959 0.82 TLR7 (0.36) KDM4EMAPTCYP1A2CYP2C19SMN1; SMN2
SCHEMBL5334844 0.82 TLR7 (0.47) MEN1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL5340468 0.79 CDK2 (0.42) CDK2FLT4MAPTMEN1KMT2A
SCHEMBL4792214 0.79 TLR7 (0.40) TLR7TLR8

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-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
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

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 CDK2 1026/4885FLT4 1448/4885KDM4E 869/4885
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors IL2, IFNG, TSLP CDK2 2068/4885FLT4 986/4885KDM4E 994/4885
US-20040010007-A1 Ether substituted imidazopyridines IL2, IL4, MYD88 CDK2 1026/4885FLT4 1448/4885KDM4E 869/4885

“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.