SCHEMBL375989

SCHEMBL375989

CC(C)(C)OC(=O)N[C@H](CCCBr)C(=O)OC1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 5/20 0.50
HDAC4 P56524 3/20 0.48
HDAC1 Q13547 3/20 0.48
HDAC6 Q9UBN7 1/20 0.48
CTSK P43235 4/20 0.44
CTSS P25774 3/20 0.42
KLK7 P49862 1/20 0.38
KLK5 Q9Y337 1/20 0.38
ITGB3 P05106 6/20 0.38
ITGA2B P08514 6/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37

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
SCHEMBL193388 1.00 CACNA1B (0.50) CACNA1BHDAC4HDAC1HDAC6CTSK
SCHEMBL193387 1.00 CACNA1B (0.50) CACNA1BHDAC4HDAC1HDAC6CTSK
SCHEMBL192376 0.92 CACNA1B (0.52) CACNA1BHDAC4HDAC1HDAC6CTSK
SCHEMBL192377 0.92 CACNA1B (0.52) CACNA1BHDAC4HDAC1HDAC6CTSK
SCHEMBL376031 0.92 CACNA1B (0.52) CACNA1BHDAC4HDAC1HDAC6CTSK
SCHEMBL2064232 0.91 CACNA1B (0.51) CACNA1BHDAC4HDAC1HDAC6CTSK
SCHEMBL2063543 0.91 CACNA1B (0.51) CACNA1BHDAC4HDAC1HDAC6CTSK
SCHEMBL192830 0.89 HDAC4 (0.49) CACNA1BHDAC4HDAC1HDAC6CTSK
SCHEMBL192829 0.89 HDAC4 (0.49) CACNA1BHDAC4HDAC1HDAC6CTSK
SCHEMBL30022028 0.88 CTSK (0.56) CACNA1BHDAC4HDAC1HDAC6CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148531-B2 Quinoline and quinoxaline derivatives as inhibitors of kinase enzymatic activity CHROMA THERAPEUTICS LTD. (GB) 2012-04-03 US disclosed
EP-2079743-B1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD (GB) 2012-01-25 EP disclosed
EP-2079743-B1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD (GB) 2012-01-25 EP disclosed
EP-1877383-B1 QUINOLINE AND QUINOXALINE DERIVATIVES AS INHIBITORS OF KINASE ENZYMATIC ACTIVITY CHROMA THERAPEUTICS LTD (GB) 2011-09-07 EP disclosed
US-20100216802-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD. (GB) 2010-08-26 US disclosed
US-20100216802-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD. (GB) 2010-08-26 US disclosed
US-20090131461-A1 Quinoline and quinoxaline derivatives as inhibitors of kinase enzymatic activity CHROMA THERAPEUTICS LTD. (GB) 2009-05-21 US disclosed
WO-2008050096-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD. (GB) 2008-05-02 WO disclosed
EP-1877383-A1 QUINOLINE AND QUINOXALINE DERIVATIVES AS INHIBITORS OF KINASE ENZYMATIC ACTIVITY Chroma Therapeutics Limited (GB) 2008-01-16 EP disclosed
WO-2006117552-A1 QUINOLINE AND QUINOXALINE DERIVATIVES AS INHIBITORS OF KINASE ENZYMATIC ACTIVITY CHROMA THERAPEUTICS LTD (GB) 2006-11-09 WO 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-20090131461-A1 Quinoline and quinoxaline derivatives as inhibitors of kinase enzymatic activity CDK1, AURKC, CSNK1G3 CACNA1B 3713/4885HDAC4 1741/4885HDAC1 423/4885
US-20100216802-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER PLK2, PLK4, PLK3 CACNA1B 4712/4885HDAC4 2850/4885HDAC1 1405/4885

“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.