SCHEMBL1429286

SCHEMBL1429286

O=Cc1ccc(-c2nc3ccccn3c2-c2ccc(F)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.67
KDM4E B2RXH2 4/20 0.51
HPGD P15428 1/20 0.51
AKT1 P31749 4/20 0.50
AKT2 P31751 4/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
MAPK13 O15264 1/20 0.50
MAPK12 P53778 1/20 0.50
MAPK11 Q15759 1/20 0.50
MAPK14 Q16539 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
CSNK1D P48730 6/20 0.46
CSNK1E P49674 6/20 0.46
NR1I3 Q14994 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
KCNK3 O14649 1/20 0.43
KCNK9 Q9NPC2 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL1428784 0.91 AKT1 (0.60) ALDH1A1KDM4EHPGDAKT1AKT2
SCHEMBL1428788 0.87 AKT1 (0.50) ALDH1A1KDM4EAKT1AKT2NPC1
SCHEMBL22342526 0.86 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDAKT1AKT2
SCHEMBL22342529 0.82 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDAKT1AKT2
SCHEMBL9298472 0.82 CSNK1D (0.58) ALDH1A1KDM4EHPGDAKT1AKT2
SCHEMBL21360469 0.81 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL22342514 0.80 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDAKT1AKT2
SCHEMBL7217081 0.80 PTGS2 (0.62) ALDH1A1KDM4EHPGDMAPK13MAPK12
SCHEMBL1428624 0.80 AKT1 (0.51) ALDH1A1KDM4EHPGDAKT1AKT2
SCHEMBL8565114 0.80 PTGS2 (0.62) ALDH1A1KDM4EHPGDMAPK13MAPK12

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-9387204-B2 Fused bicyclic imidazoles BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-07-12 US disclosed
US-20140088110-A1 FUSED BICYCLIC IMIDAZOLES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-27 US disclosed
US-8592591-B2 Fused bicyclic imidazoles BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-26 US disclosed
EP-2176259-B1 FUSED IMIDAZOLES FOR CANCER TREATMENT BAYER SCHERING PHARMA AG (DE) 2011-03-30 EP disclosed
EP-2176259-A1 FUSED IMIDAZOLES FOR CANCER TREATMENT Bayer Schering Pharma Aktiengesellschaft (DE) 2010-04-21 EP disclosed
US-20090156604-A1 FUSED BICYCLIC IMIDAZOLES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-06-18 US disclosed
EP-2062893-A1 Fused imidazoles for cancer treatment Bayer Schering Pharma AG (DE) 2009-05-27 EP disclosed
WO-2009021990-A1 FUSED IMIDAZOLES FOR CANCER TREATMENT BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-19 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 (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-20140088110-A1 FUSED BICYCLIC IMIDAZOLES MTOR, AKT2, AKT1 ALDH1A1 3757/4885KDM4E 2159/4885HPGD 4453/4885
US-20090156604-A1 FUSED BICYCLIC IMIDAZOLES MTOR, AKT2, AKT1 ALDH1A1 3757/4885KDM4E 2159/4885HPGD 4453/4885

“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.