SCHEMBL3546113

SCHEMBL3546113

CCOC(=O)c1cn2cc(C(C)C)ccc2n1.CCOC(=O)c1cn2cc(C(C)C)ccc2n1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.61
POLB P06746 1/20 0.61
GAA P10253 1/20 0.52
RAB9A P51151 5/20 0.50
NPC1 O15118 3/20 0.48
RXFP1 Q9HBX9 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP1A2 P05177 1/20 0.46
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GABRA2 P47869 2/20 0.44
GABRB2 P47870 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MLYCD O95822 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
SCHEMBL3540082 1.00 KDM4E (0.61) KDM4EPOLBGAARAB9ANPC1
SCHEMBL30061040 0.88 KDM4E (0.57) KDM4EPOLBGAARAB9ANPC1
SCHEMBL30058525 0.88 KDM4E (0.57) KDM4EPOLBGAARAB9ANPC1
SCHEMBL23534269 0.88 KDM4E (0.57) KDM4EPOLBGAARAB9ANPC1
SCHEMBL30058501 0.88 KDM4E (0.57) KDM4EPOLBGAARAB9ANPC1
SCHEMBL21033605 0.88 KDM4E (0.60) KDM4EPOLBGAARAB9ANPC1
SCHEMBL871014 0.84 KDM4E (0.69) KDM4EPOLBGAARAB9ANPC1
SCHEMBL7268603 0.83 KDM4E (0.72) KDM4EPOLBGAARAB9ANPC1
SCHEMBL118658 0.81 KDM4E (0.66) KDM4EPOLBGAARAB9ANPC1
SCHEMBL25115498 0.81 KDM4E (0.59) KDM4EPOLBGAARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7704989-B2 Derivatives of imidazo[1,2-a]pyridine-2-carboxamides, preparation method thereof and use of same in therapeutics SANOFI-AVENTIS (FR) 2010-04-27 US disclosed
US-20090149441-A1 DERIVATIVES OF IMIDAZO[1,2-a]PYRIDINE-2-CARBOXAMIDES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2009-06-11 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 (1 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-20090149441-A1 DERIVATIVES OF IMIDAZO[1,2-a]PYRIDINE-2-CARBOXAMIDES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS NR4A2, NR4A3, NCOR1 KDM4E 2303/4885POLB 3617/4885GAA 4805/4885

“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.