SCHEMBL6093663

SCHEMBL6093663

CC(=O)NC(C)(C)CNc1c(C)c(C)nc(Oc2ccccc2)c1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.38
ALOX15 P16050 1/20 0.38
MMP2 P08253 2/20 0.36
MMP13 P45452 2/20 0.36
MMP1 P03956 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 3/20 0.34
RECQL P46063 1/20 0.34
RAF1 P04049 1/20 0.33
KLKB1 P03952 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
EGLN2 Q96KS0 1/20 0.32
HSD17B10 Q99714 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HSP90AA1 P07900 1/20 0.32

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
SCHEMBL6220955 0.85 FPR2 (0.33) POLBMMP2MMP13MMP1L3MBTL1
SCHEMBL6092975 0.83 LMNA (0.36) POLBALOX15MMP2MMP13MMP1
SCHEMBL1232835 0.80 ALDH1A1 (0.36) POLBALOX15L3MBTL1ALDH1A1KLKB1
SCHEMBL6094889 0.78 BCHE (0.45)
SCHEMBL28753431 0.78 TOP2A (0.37) L3MBTL1ALDH1A1RECQLKLKB1TDP1
SCHEMBL1232939 0.78 TOP2A (0.37) L3MBTL1ALDH1A1RECQLKLKB1TDP1
SCHEMBL6097248 0.76 BRD4 (0.44)
SCHEMBL6095098 0.76 BRD4 (0.44)
SCHEMBL842220 0.76 MAPT (0.37) ALDH1A1CYP1A2CYP2C9CYP2C19LMNA
SCHEMBL4772034 0.75 HTR7 (0.42) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7098221-B2 Amide substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-08-29 US disclosed
US-20050282854-A1 Amide substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY 2005-12-22 US disclosed
US-6969722-B2 Amide substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-11-29 US disclosed
US-20040186128-A1 Amide substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY 2004-09-23 US disclosed
EP-1451187-A1 AMIDE SUBSTITUTED IMIDAZOPYRIDINES 3M Innovative Properties Company (US) 2004-09-01 EP disclosed
US-6720422-B2 MODULATORS OF IMMUNE RESPONSE BY INDUCTION OF CYTOKINE BIOSYNTHESIS; SUBSTITUTED 4-PHENOXY-IMIDAZO(4,5-C)PYRIDINES 3M INNOVATIVE PROPERTIES COMPANY 2004-04-13 US disclosed
US-6720333-B2 IMMUNE RESPONSE MODIFIERS; CYTOKINE BIOSYNTHESIS; VIRAL AND NEOPLASTIC DISEASES; N-(4-(4-AMINO-6,7-DIMETHYL-1H-IMIDAZO (4,5-C)PYRIDIN-1-YL)BUTYL)BENZAMIDE 3M INNOVATIVE PROPERTIES COMPANY 2004-04-13 US disclosed
US-20030186949-A1 Amide substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY 2003-10-02 US disclosed
US-20030162806-A1 Amide substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY 2003-08-28 US disclosed
WO-2003050118-A1 AMIDE SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-06-19 WO disclosed
US-6545016-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 (4 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-20040186128-A1 Amide substituted imidazopyridines IRF3, EIF2AK2, IFNG POLB 2020/4885ALOX15 3553/4885MMP2 3937/4885
US-20050282854-A1 Amide substituted imidazopyridines IRF3, EIF2AK2, IFNG POLB 2020/4885ALOX15 3553/4885MMP2 3937/4885
US-20030162806-A1 Amide substituted imidazopyridines IRF3, EIF2AK2, IFNG POLB 2020/4885ALOX15 3553/4885MMP2 3937/4885
US-20030186949-A1 Amide substituted imidazopyridines IRF3, EIF2AK2, IFNG POLB 2020/4885ALOX15 3553/4885MMP2 3937/4885

“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.