SCHEMBL6288253

SCHEMBL6288253

CCOCc1nc2c(N)nc(C)cc2n1CCCCNC(=S)NC(=O)c1ccco1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
GAA P10253 3/20 0.42
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 4/20 0.40
RAB9A P51151 2/20 0.39
ALOX12 P18054 1/20 0.39
MAPT P10636 5/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
THRB P10828 1/20 0.39
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
MEN1 O00255 1/20 0.38
APAF1 O14727 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL6778763 0.85 ALDH1A1 (0.42) ALDH1A1GAAKDM4EKMT2ARAB9A
SCHEMBL6286172 0.84 ALDH1A1 (0.45) ALDH1A1GAAKDM4EKMT2ARAB9A
SCHEMBL6778065 0.84 RAB9A (0.48) ALDH1A1GAAKDM4ERAB9ASMN1; SMN2
SCHEMBL6773630 0.83 TLR8 (0.36) SMN1; SMN2HPGD
SCHEMBL6779064 0.81 TLR8 (0.40) ALDH1A1GAAKMT2ARAB9AALOX12
SCHEMBL6772921 0.81 TLR7 (0.44) ALDH1A1KMT2AMAPTMEN1
SCHEMBL6779395 0.81 TLR7 (0.46) ALDH1A1KMT2ARAB9AMAPTSMN1; SMN2
SCHEMBL6094697 0.81 TLR7 (0.42) SMN1; SMN2LMNA
SCHEMBL6096076 0.81 TLR7 (0.45) GAARAB9ASMN1; SMN2
SCHEMBL6773179 0.80 TLR7 (0.42)

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
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
EP-1451186-A2 UREA SUBSTITUTED IMIDAZOPYRIDINES 3M Innovative Properties Company (US) 2004-09-01 EP 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
WO-2003050119-A2 UREA SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-06-19 WO 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 (2 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 ALDH1A1 1975/4885GAA 2980/4885KDM4E 1987/4885
US-20030195209-A1 Urea substituted imidazopyridines EIF2AK2, UMPS, IRF3 ALDH1A1 1975/4885GAA 2980/4885KDM4E 1987/4885

“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.