SCHEMBL678157

SCHEMBL678157

COC(=O)CN1C(=O)Cc2c(n(CC(=O)OC)c3ccc(Br)cc23)-c2ncccc21

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 6/20 0.54
ALDH1A1 P00352 2/20 0.46
CASP3 P42574 2/20 0.39
GSK3B P49841 6/20 0.39
CCNB2 O95067 4/20 0.39
CCNB1 P14635 4/20 0.39
CCNB3 Q8WWL7 4/20 0.39
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
HSD17B10 Q99714 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
GSK3A P49840 1/20 0.35
HRH1 P35367 1/20 0.35
HTR6 P50406 1/20 0.35
KMT2A Q03164 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
SCHEMBL5688713 0.70 CDK1 (1.00) CDK1ALDH1A1GSK3BCCNB2CCNB1
SCHEMBL5688353 0.69 CDK1 (1.00) CDK1ALDH1A1GSK3BCCNB2CCNB1
SCHEMBL11807676 0.63 CYP1A2 (0.61) CDK1ALDH1A1KDM4EMAPTKMT2A
SCHEMBL31367788 0.63 CASP3 (0.50) CDK1ALDH1A1CASP3HSD17B10KDM4E
SCHEMBL31367789 0.63 CASP3 (0.50) CDK1ALDH1A1CASP3HSD17B10KDM4E
SCHEMBL5805683 0.60 CDK1 (0.65) CDK1ALDH1A1GSK3BCCNB2CCNB1
SCHEMBL3776134 0.60 NAMPT (0.47) CDK1ALDH1A1CASP3HSD17B10KDM4E
SCHEMBL11806794 0.60 RAB9A (0.74) CDK1ALDH1A1HSD17B10KDM4EMAPT
SCHEMBL5237362 0.59 CDK1 (0.81) CDK1ALDH1A1GSK3BCCNB2CCNB1
SCHEMBL24819639 0.59 CASP3 (0.51) CDK1ALDH1A1CASP3KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879591-B1 USE OF AZAPAULLONES FOR PREVENTING AND TREATING PANCREATIC AUTOIMMUNE DISORDERS DEVELOGEN AG (DE) 2012-01-25 EP disclosed
US-7968535-B2 Antidiabetic agents; neurodegenerative disorders; mixture with immunosuppresants DEVELOGEN ATKIENGESELLSCHAFT (DE) 2011-06-28 US disclosed
US-20080287423-A1 Use of Azapaullones For Preventing and Treating Pancreatic Autoimmune Disorders EVOTEC INTERNATIONAL GMBH (DE) 2008-11-20 US disclosed
US-20080287423-A1 Use of Azapaullones For Preventing and Treating Pancreatic Autoimmune Disorders EVOTEC INTERNATIONAL GMBH (DE) 2008-11-20 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-20080287423-A1 Use of Azapaullones For Preventing and Treating Pancreatic Autoimmune Disorders IAPP, RNASE1, AMY2A CDK1 3832/4885ALDH1A1 624/4885CASP3 346/4885

“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.