SCHEMBL843417

SCHEMBL843417

Nc1ccnc(Oc2ccccc2)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HPGD P15428 1/20 0.43
MAOA P21397 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
LOXL2 Q9Y4K0 2/20 0.41
ADORA2A P29274 1/20 0.41
LTA4H P09960 2/20 0.41
TSHR P16473 1/20 0.41
TRPA1 O75762 1/20 0.40
LOX P28300 1/20 0.40
HTR1A P08908 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL27958077 0.81 NOS3 (0.47) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL252692 0.79 TRPA1 (0.58) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL243134 0.78 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL29351976 0.73 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL13514462 0.72 ADORA2A (0.44) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL21858763 0.72 TRPA1 (0.50) ALDH1A1MEN1KMT2AL3MBTL1HPGD
SCHEMBL29424822 0.71 AURKA (0.46) ALDH1A1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL2946870 0.71 AURKA (0.46) ALDH1A1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL16828235 0.71 ADORA2A (0.55) ALDH1A1KMT2AHPGDMAOAADORA2A
SCHEMBL2747840 0.70 TRPA1 (0.49) ALDH1A1MEN1KMT2ACYP1A2CYP2C9

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143270-B2 2-amino 1H-in-imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-27 US disclosed
US-7888374-B2 Inhibitors of c-jun N-terminal kinases ABBOTT LABORATORIES (US) 2011-02-15 US disclosed
US-7888349-B2 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-02-15 US disclosed
EP-1784180-A4 2-AMINO 1H IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2009-07-22 EP disclosed
US-20090023720-A1 2-Amino 1H-Imidazo Ring Systems and Methods 3M INNOVATIVE PROPERTIES COMPANY 2009-01-22 US disclosed
EP-1513524-A4 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES CO (US) 2008-09-03 EP disclosed
US-20080015184-A1 Urea Substituted Imidazopyridines, Imidazoquinolines, and Imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-01-17 US disclosed
US-20070259881-A1 Substituted Imidazo Ring Systems and Methods COLEY PHARMACEUTICAL GROUP, INC. 2007-11-08 US disclosed
US-20070167476-A1 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds 3M INNOVATIVE PROPERTIES COMPANY 2007-07-19 US disclosed
US-7220758-B2 Ether substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-05-22 US disclosed
WO-2005066172-A1 PIPERAZINE, [1,4]DIAZEPANE, [1,4]DIAZOCANE, AND [1,5]DIAZOCANE FUSED IMIDAZO RING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-07-21 WO disclosed
EP-1513524-A2 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M Innovative Properties Company (US) 2005-03-16 EP disclosed
EP-1511746-A2 PROCESS FOR IMIDAZO[4,5-C]PYRIDIN-4-AMINES 3M Innovative Properties Company (US) 2005-03-09 EP 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-6743920-B2 CHORINATION REPLACING HYDROXYL GROUPS OF 2,4-DIHYROXY-3-NITROPYRIDINE DERIVATIVE; AMINATION, HYDROXYARYLATION, REDUCTION AND CYCLIZATION; AMINE REPLACEMENT OF PHENOXY FUNCTIONALITY 3M INNOVATIVE PROPERTIES COMPANY 2004-06-01 US disclosed
US-20040010007-A1 Ether substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY 2004-01-15 US disclosed
US-20030232852-A1 Process for imidazo[4,5-c]pyridin-4-amines 3M INNOVATIVE PROPERTIES COMPANY 2003-12-18 US disclosed
WO-2003103584-A2 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-12-18 WO disclosed
WO-2003101949-A2 PROCESS FOR IMIDAZO[4,5-C]PYRIDIN-4-AMINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-12-11 WO 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 (7 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-20070259881-A1 Substituted Imidazo Ring Systems and Methods IL2, IL4, IRF3 ALDH1A1 2134/4885MEN1 2899/4885KMT2A 2601/4885
US-20030232852-A1 Process for imidazo[4,5-c]pyridin-4-amines CPNE4, HTR4, IL4 ALDH1A1 2377/4885MEN1 2947/4885KMT2A 736/4885
US-20070167476-A1 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds IL4, IL2, IL5 ALDH1A1 401/4885MEN1 705/4885KMT2A 2219/4885
US-20080015184-A1 Urea Substituted Imidazopyridines, Imidazoquinolines, and Imidazonaphthyridines IL2, EIF2AK2, IL4 ALDH1A1 2014/4885MEN1 3849/4885KMT2A 2855/4885
US-20090023720-A1 2-Amino 1H-Imidazo Ring Systems and Methods IL2, IL2RA, IL4I1 ALDH1A1 1223/4885MEN1 3048/4885KMT2A 1860/4885
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors IL2, IFNG, TSLP ALDH1A1 940/4885MEN1 2247/4885KMT2A 3405/4885
US-20040010007-A1 Ether substituted imidazopyridines IL2, IL4, MYD88 ALDH1A1 1803/4885MEN1 3243/4885KMT2A 2883/4885

“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.