SCHEMBL12631795

SCHEMBL12631795

CCN(NC(=O)OC(C)(C)C)c1nc(SC)ncc1C=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ POLB P06746 2/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ CCNA2 P20248 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ SYK P43405 1/20 0.31
▸ HPGD P15428 1/20 0.30
▸ STK17B O94768 1/20 0.30
▸ STK17A Q9UEE5 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ ATR Q13535 1/20 0.30
▸ CKS1B P61024 1/20 0.30
▸ SKP1 P63208 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
SCHEMBL12631807 0.84 HTT (0.34) AKT1MEN1KMT2AALDH1A1POLB
SCHEMBL12631815 0.82 ALDH1A1 (0.48) MEN1KMT2AALDH1A1POLBTDP1
SCHEMBL12631829 0.80 CCNA2 (0.32) MEN1KMT2AALDH1A1CCNA2CDK2
SCHEMBL12631844 0.74 BRS3 (0.35) —
SCHEMBL16120608 0.73 MEN1 (0.33) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL13510249 0.72 STK17B (0.47) MEN1KMT2AALDH1A1KDM4ESTK17B
SCHEMBL24668647 0.70 CCNE2 (0.38) KMT2AALDH1A1MAPTKDM4ECCNA2
SCHEMBL12631827 0.70 LCK (0.32) AKT1MEN1KMT2ACCNA2CDK2
SCHEMBL16120477 0.69 TP53 (0.35) MEN1KMT2APOLBMAPTKDM4E
SCHEMBL17718026 0.69 ALDH1A1 (0.40) MEN1KMT2AALDH1A1MAPTKDM4E

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 AKT1 232/4885MEN1 1234/4885KMT2A 490/4885
US-20080039477-A1 Pyrazolopyrimidines as Cell Cycle Kinase Inhibitors CDK1, CDK2, CDKN1A AKT1 317/4885MEN1 1933/4885KMT2A 1096/4885

“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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