SCHEMBL12631815

SCHEMBL12631815

CCOC(=O)c1cnc(SC)nc1N(CC)NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ SYK P43405 2/20 0.46
▸ MAPT P10636 6/20 0.45
▸ HPGD P15428 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ FOS P01100 1/20 0.44
▸ JUN P05412 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ HTT P42858 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.40
▸ HSD17B10 Q99714 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
SCHEMBL12631824 0.82 MEN1 (0.47) ALDH1A1TDP1POLBMEN1KMT2A
SCHEMBL12631807 0.82 HTT (0.34) ALDH1A1TDP1POLBMEN1KMT2A
SCHEMBL12631795 0.82 AKT1 (0.33) ALDH1A1TDP1POLBMEN1KMT2A
SCHEMBL12631841 0.78 KMT2A (0.43) ALDH1A1TDP1POLBMEN1KMT2A
SCHEMBL11584085 0.78 MEN1 (0.54) ALDH1A1TDP1POLBMEN1KMT2A
SCHEMBL16414911 0.77 MEN1 (0.43) ALDH1A1TDP1POLBMEN1KMT2A
SCHEMBL16414912 0.77 MEN1 (0.43) ALDH1A1TDP1POLBMEN1KMT2A
SCHEMBL24096215 0.76 ALDH1A1 (0.51) ALDH1A1TDP1POLBMEN1KMT2A
SCHEMBL20875448 0.76 SYK (0.57) ALDH1A1TDP1POLBMEN1KMT2A
SCHEMBL30392065 0.76 ALDH1A1 (0.51) ALDH1A1TDP1POLBMEN1KMT2A

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
US-7947695-B2 Inhibitors of cell cycle kinases such as cyclin dependent kinase CDK4 and/or the Aurora kinases; use in combination with an anticancer agent JANSSEN PHARMACEUTICA NV (BE) 2011-05-24 — — US disclosed
US-7947694-B2 Substituted pyrazolo[3,4-D]pyrimidines as cell cycle kinase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2011-05-24 — — US disclosed
US-20080070914-A1 Inhibitors of cell cycle kinases such as cyclin dependent kinase CDK4 and/or the Aurora kinases; use in combination with an anticancer agent JANSSEN-CILAG (FR) 2008-03-20 — — US disclosed
US-20080039477-A1 Pyrazolopyrimidines as Cell Cycle Kinase Inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-14 — — 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 (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-20080070914-A1 Inhibitors of cell cycle kinases such as cyclin dependent kinase CDK4 and/or the Aurora kinases; use in combination with an anticancer agent CDK1, CDK2, CDK4 ALDH1A1 3158/4885TDP1 748/4885POLB 953/4885
US-20080039477-A1 Pyrazolopyrimidines as Cell Cycle Kinase Inhibitors CDK1, CDK2, CDKN1A ALDH1A1 2526/4885TDP1 613/4885POLB 842/4885

“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.

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