SCHEMBL6288252

SCHEMBL6288252

CCOCc1nc2c(N)nc(C)c(C)c2n1CCC1CCN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 19/20 0.47
CACNA1C Q13936 3/20 0.46
HRH3 Q9Y5N1 1/20 0.43
EPHX1 P07099 2/20 0.41
KCNH2 Q12809 2/20 0.41
SCN5A Q14524 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
SCHEMBL6777299 0.88 ALDH1A1 (0.43)
SCHEMBL6095134 0.87 HRH3 (0.42) HRH3
SCHEMBL6701295 0.87 HRH3 (0.42) HRH3
SCHEMBL6773368 0.84 TLR7 (0.43)
SCHEMBL6776954 0.84 LMNA (0.40)
SCHEMBL6777554 0.84 KDM4E (0.36) EPHX2
SCHEMBL6768386 0.83 TLR7 (0.42)
SCHEMBL6777973 0.83 TLR7 (0.37)
SCHEMBL6283987 0.82 TLR7 (0.42) EPHX2
SCHEMBL6772831 0.82 FAAH (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6720334-B2 IMMUNE RESPONSE MODIFIERS; CYTOKINE BIOSYNTHESIS; VIRAL AND NEOPLASTIC DISEASES; 1-(4-(4-AMINO-6,7-DIMETHYL-1H-IMIDAZO (4,5-C)PYRIDIN-1-YL)BUTYL)-3-PHENYLUREA. 3M INNOVATIVE PROPERTIES COMPANY 2004-04-13 US claimed
US-6903113-B2 Urea substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-06-07 US disclosed
US-20040157879-A1 Urea substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY 2004-08-12 US disclosed
US-6720334-B2 IMMUNE RESPONSE MODIFIERS; CYTOKINE BIOSYNTHESIS; VIRAL AND NEOPLASTIC DISEASES; 1-(4-(4-AMINO-6,7-DIMETHYL-1H-IMIDAZO (4,5-C)PYRIDIN-1-YL)BUTYL)-3-PHENYLUREA. 3M INNOVATIVE PROPERTIES COMPANY 2004-04-13 US disclosed
US-6716988-B2 1-PHENOXY-3-NITRO- OR AMINO-4-AMINOALKYLCARBAMYL DERIVATIVES; IMMUNE RESPONSE MODIFIERS 3M INNOVATIVE PROPERTIES COMPANY 2004-04-06 US disclosed
US-20030195209-A1 Urea substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY 2003-10-16 US disclosed
US-20030176458-A1 Urea substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY 2003-09-18 US disclosed
US-6545017-B1 Inducing cytokine biosynthesis; treating a viral and neoplastic diseases 3M INNOVATIVE PROPERTIES COMPANY 2003-04-08 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-20030176458-A1 Urea substituted imidazopyridines EIF2AK2, UMPS, IRF3 EPHX2 3159/4885CACNA1C 4590/4885HRH3 1043/4885
US-20030195209-A1 Urea substituted imidazopyridines EIF2AK2, UMPS, IRF3 EPHX2 3159/4885CACNA1C 4590/4885HRH3 1043/4885
US-20040157879-A1 Urea substituted imidazopyridines EIF2AK2, UMPS, IRF3 EPHX2 3159/4885CACNA1C 4590/4885HRH3 1043/4885

“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.