SCHEMBL2822407

SCHEMBL2822407

CCCN(C(=O)c1nc(Cl)c(CC)[nH]1)C1CN(c2nc(C)c(C(=O)OCC)s2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
MEN1 O00255 3/20 0.38
MAPT P10636 3/20 0.38
KMT2A Q03164 3/20 0.38
EGFR P00533 1/20 0.34
KDR P35968 1/20 0.34
HTR1A P08908 4/20 0.33
HPGD P15428 2/20 0.32
PDE5A O76074 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 2/20 0.31
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
DHODH Q02127 1/20 0.31

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
SCHEMBL2822336 0.95 ALDH1A1 (0.37) ALDH1A1MEN1MAPTKMT2AEGFR
SCHEMBL2823275 0.92 ALDH1A1 (0.37) ALDH1A1MEN1MAPTKMT2AEGFR
SCHEMBL2822543 0.91 ALDH1A1 (0.39) ALDH1A1MEN1MAPTKMT2AEGFR
SCHEMBL2824283 0.90 PIK3CD (0.38) ALDH1A1MAPTHPGDSMN1; SMN2GAA
SCHEMBL2824625 0.90 KDM4E (0.31) ALDH1A1HPGDGAAKDM4E
SCHEMBL2823758 0.89 ALDH1A1 (0.40) ALDH1A1MEN1MAPTKMT2AEGFR
SCHEMBL2827201 0.85 PIK3CD (0.37) ALDH1A1HPGDTSHR
SCHEMBL2824754 0.84 CRHR1 (0.33) MAPTSMN1; SMN2
SCHEMBL13002010 0.84 PIK3CD (0.36)
SCHEMBL2826105 0.83 PIK3CD (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2226322-B1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO CO LTD (JP) 2015-01-21 EP disclosed
US-8927588-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-01-06 US disclosed
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 US disclosed
US-8536197-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-09-17 US disclosed
US-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-12-09 US disclosed
EP-2226322-A1 IMIDAZOLE CARBONYL COMPOUND Daiichi Sankyo Company, Limited (JP) 2010-09-08 EP 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-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A ALDH1A1 3596/4885MEN1 3960/4885MAPT 1455/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A ALDH1A1 1220/4885MEN1 3629/4885MAPT 1979/4885

“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.