SCHEMBL2822912

SCHEMBL2822912

CCc1[nH]c(C(=O)Nc2ccc3c(c2)OCCN3C(=O)OC(C)(C)C)nc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.41
EGFR P00533 1/20 0.40
BTK Q06187 1/20 0.40
MAPT P10636 9/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDR P35968 2/20 0.38
USP30 Q70CQ3 1/20 0.37
TP53 P04637 3/20 0.37
THRB P10828 2/20 0.37
LMNA P02545 3/20 0.36
HTT P42858 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
LCK P06239 1/20 0.36
MET P08581 1/20 0.36
TEK Q02763 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL2826965 0.88 TOP2A (0.42) TOP2AMAPTNPC1RAB9AL3MBTL1
SCHEMBL2825218 0.84 L3MBTL1 (0.41) TOP2AMAPTNPC1RAB9AL3MBTL1
SCHEMBL2822035 0.78 SMN1; SMN2 (0.42) TOP2AMAPTNPC1RAB9AL3MBTL1
SCHEMBL2827072 0.78 TOP2A (0.42) TOP2AMAPTNPC1RAB9AL3MBTL1
SCHEMBL2825393 0.77 PIK3CA (0.46) TOP2AMAPTNPC1RAB9A
SCHEMBL15501937 0.77 TOP2A (0.40) TOP2AMAPTNPC1RAB9AL3MBTL1
SCHEMBL2822824 0.77 SIRT1 (0.40) TOP2AMAPTNPC1RAB9AL3MBTL1
SCHEMBL2823787 0.76 ROCK2 (0.45) TOP2AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2822127 0.75 TOP2A (0.41) TOP2AMAPTNPC1RAB9AL3MBTL1
SCHEMBL31694096 0.71 MAPT (0.52) EGFRBTKMAPTKDRUSP30

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 TOP2A 3/4885EGFR 3296/4885BTK 3324/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A TOP2A 3/4885EGFR 4176/4885BTK 1996/4885

“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.