SCHEMBL12631827

SCHEMBL12631827

CSc1ncc(CO)c(N(NC(=O)OC(C)(C)C)C2CCCCC2)n1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ EPHX1 P07099 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ TSHR P16473 1/20 0.31
▸ CCNA2 P20248 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ CACNA1B Q00975 2/20 0.31
▸ BTK Q06187 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ MEN1 O00255 2/20 0.30
▸ KMT2A Q03164 2/20 0.30
▸ AKT1 P31749 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ LMNA P02545 1/20 0.30

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
SCHEMBL12631829 0.86 CCNA2 (0.32) EPHX1TSHRCCNA2CDK2MEN1
SCHEMBL12631824 0.83 MEN1 (0.47) HTTMEN1KMT2ALMNA
SCHEMBL12631807 0.80 HTT (0.34) HTTCCNA2CDK2MEN1KMT2A
SCHEMBL3174582 0.72 STK17B (0.44) JAK3EPHX1L3MBTL1TSHRCACNA1B
SCHEMBL3168722 0.71 STK17B (0.45) JAK3EPHX1L3MBTL1CACNA1BBTK
SCHEMBL3169517 0.71 STK17B (0.38) JAK3EPHX1L3MBTL1TSHRCACNA1B
SCHEMBL12631844 0.71 BRS3 (0.35) LMNA
SCHEMBL3174379 0.70 STK17B (0.39) JAK3L3MBTL1TSHRCACNA1BBTK
SCHEMBL12631795 0.70 AKT1 (0.33) HTTCCNA2CDK2MEN1KMT2A
SCHEMBL3165883 0.69 JAK3 (0.40) JAK3BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7947694-B2 Substituted pyrazolo[3,4-D]pyrimidines as cell cycle kinase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2011-05-24 — — US disclosed
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-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-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-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
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 LCK 308/4885JAK3 470/4885HTT 4081/4885
US-20080039477-A1 Pyrazolopyrimidines as Cell Cycle Kinase Inhibitors CDK1, CDK2, CDKN1A LCK 212/4885JAK3 587/4885HTT 4475/4885

“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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