SCHEMBL2822940

SCHEMBL2822940

CCOC(=O)c1sc(N2CC[C@H](N)C2)nc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.47
ALDH1A1 P00352 6/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PRKD3 O94806 1/20 0.43
MAP4K4 O95819 1/20 0.43
PIM1 P11309 1/20 0.43
CLK2 P49760 1/20 0.43
MAP4K2 Q12851 1/20 0.43
CAMK2D Q13557 1/20 0.43
DYRK1A Q13627 1/20 0.43
PIM3 Q86V86 1/20 0.43
AURKB Q96GD4 1/20 0.43
PRKD2 Q9BZL6 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
STK17A Q9UEE5 1/20 0.43
MAP4K5 Q9Y4K4 1/20 0.43
HPGD P15428 2/20 0.43
GAA P10253 4/20 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
SCHEMBL2827330 1.00 PDE5A (0.47) PDE5AALDH1A1MAPTMEN1KMT2A
SCHEMBL2822249 0.93 PDE5A (0.49) PDE5AALDH1A1MAPTMEN1KMT2A
SCHEMBL2822554 0.90 ALDH1A1 (0.51) PDE5AALDH1A1MAPTMEN1KMT2A
SCHEMBL2691296 0.82 ALDH1A1 (0.49) PDE5AALDH1A1MAPTMEN1KMT2A
SCHEMBL2691295 0.82 ALDH1A1 (0.49) PDE5AALDH1A1MAPTMEN1KMT2A
SCHEMBL2691292 0.82 ALDH1A1 (0.49) PDE5AALDH1A1MAPTMEN1KMT2A
SCHEMBL2826261 0.81 PDE5A (0.51) PDE5AALDH1A1MAPTMEN1KMT2A
SCHEMBL2823909 0.80 ALDH1A1 (0.49) PDE5AALDH1A1MAPTMEN1KMT2A
SCHEMBL2821347 0.79 ALDH1A1 (0.50) PDE5AALDH1A1MAPTMEN1KMT2A
SCHEMBL2823015 0.78 GAA (0.48) PDE5AALDH1A1MAPTMEN1KMT2A

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 PDE5A 1621/4885ALDH1A1 3596/4885MAPT 1455/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A PDE5A 541/4885ALDH1A1 1220/4885MAPT 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.