SCHEMBL6286172

SCHEMBL6286172

CCOCc1nc2c(N)nc(C)c(C)c2n1CCCNC(=S)NC(=O)c1ccco1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
GAA P10253 2/20 0.43
MAPT P10636 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 3/20 0.41
RAB9A P51151 2/20 0.41
ALOX12 P18054 1/20 0.41
KMT2A Q03164 3/20 0.40
NPC1 O15118 2/20 0.39
PKM P14618 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
LMNA P02545 3/20 0.38
POLB P06746 1/20 0.38
KCNH2 Q12809 1/20 0.38
THRB P10828 2/20 0.38
TLR8 Q9NR97 1/20 0.38
HTT P42858 2/20 0.37
APAF1 O14727 1/20 0.37
NSD2 O96028 1/20 0.37
GLA P06280 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
SCHEMBL6287410 0.88 ALDH1A1 (0.50) ALDH1A1GAAMAPTSMN1; SMN2KDM4E
SCHEMBL6778763 0.86 ALDH1A1 (0.42) ALDH1A1GAAMAPTSMN1; SMN2KDM4E
SCHEMBL6288253 0.84 ALDH1A1 (0.42) ALDH1A1GAAMAPTSMN1; SMN2KDM4E
SCHEMBL6778285 0.82 RAB9A (0.47) ALDH1A1GAAMAPTSMN1; SMN2KDM4E
SCHEMBL6287381 0.82 KMT2A (0.44) ALDH1A1MAPTSMN1; SMN2KMT2ANPC1
SCHEMBL6672838 0.82 TLR7 (0.40) ALDH1A1GAAKDM4ETLR7TLR8
SCHEMBL6776337 0.81 TLR8 (0.45) ALDH1A1GAAMAPTRAB9AKMT2A
SCHEMBL6771821 0.81 TLR7 (0.47) ALDH1A1MAPTKMT2ATLR7TLR8
SCHEMBL6773544 0.81 TLR7 (0.51) TLR7TLR8
SCHEMBL6774879 0.79 TLR7 (0.48) GAAKDM4ETLR7LMNATLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 1975/4885GAA 2980/4885MAPT 2103/4885
US-20030195209-A1 Urea substituted imidazopyridines EIF2AK2, UMPS, IRF3 ALDH1A1 1975/4885GAA 2980/4885MAPT 2103/4885
US-20040157879-A1 Urea substituted imidazopyridines EIF2AK2, UMPS, IRF3 ALDH1A1 1975/4885GAA 2980/4885MAPT 2103/4885

“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.