SCHEMBL2670640

SCHEMBL2670640

O=C(O)c1cn(C2CC2)c2c(Cl)[c]ccc2c1=O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 8/20 0.50
TOP2B Q02880 8/20 0.50
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
KDM4E B2RXH2 2/20 0.47
KCNH2 Q12809 5/20 0.45
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
DPP4 P27487 1/20 0.39
GSK3B P49841 1/20 0.39

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
SCHEMBL2670521 0.85 TOP2A (0.49) TOP2ATOP2BALDH1A1POLBCHRM2
SCHEMBL2670716 0.84 CYP3A4 (0.46) TOP2ATOP2BALDH1A1POLBCHRM2
SCHEMBL2670396 0.81 KCNH2 (0.52) TOP2ATOP2BALDH1A1POLBCHRM2
SCHEMBL2670552 0.81 TOP2A (0.47) TOP2ATOP2BALDH1A1POLBCHRM2
SCHEMBL27340789 0.79 KDM4E (0.55) TOP2ATOP2BALDH1A1POLBCHRM2
SCHEMBL2670762 0.79 KCNH2 (0.46) TOP2ATOP2BALDH1A1POLBCHRM2
SCHEMBL2670590 0.78 TOP2A (0.54) TOP2ATOP2BALDH1A1POLBCHRM2
SCHEMBL10915179 0.77 TOP2A (0.58) TOP2ATOP2BALDH1A1POLBCHRM2
SCHEMBL10627007 0.77 KCNH2 (0.48) TOP2ATOP2BALDH1A1POLBCHRM2
SCHEMBL4482132 0.77 ALDH1A1 (0.58) TOP2ATOP2BALDH1A1POLBCHRM2

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-20130029977-A9 Fused substituted aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED 2013-01-31 US claimed
US-20120108582-A1 Fused substituted aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED 2012-05-03 US claimed

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-20120108582-A1 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 TOP2A 89/4885TOP2B 149/4885ALDH1A1 2730/4885
US-20130029977-A9 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 TOP2A 89/4885TOP2B 149/4885ALDH1A1 2730/4885

“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.