SCHEMBL12631829

SCHEMBL12631829

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

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ EPHX1 P07099 1/20 0.31
▸ HDAC4 P56524 1/20 0.30
▸ HDAC6 Q9UBN7 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
SCHEMBL12631827 0.86 LCK (0.32) CCNA2CDK2GAAMEN1KMT2A
SCHEMBL12631844 0.84 BRS3 (0.35) —
SCHEMBL12631824 0.82 MEN1 (0.47) MEN1KMT2AALDH1A1
SCHEMBL12631795 0.80 AKT1 (0.33) CCNA2CDK2MEN1KMT2AALDH1A1
SCHEMBL1976614 0.75 KMT2A (0.36) MEN1KMT2AALDH1A1
SCHEMBL3174582 0.74 STK17B (0.44) GAAMEN1KMT2AALDH1A1TSHR
SCHEMBL16120477 0.74 TP53 (0.35) CCNA2CDK2MEN1KMT2A
SCHEMBL3168722 0.73 STK17B (0.45) GAAMEN1KMT2AALDH1A1EPHX1
SCHEMBL3169517 0.72 STK17B (0.38) GAAMEN1KMT2AALDH1A1TSHR
SCHEMBL3174379 0.71 STK17B (0.39) MEN1KMT2AALDH1A1TSHRHDAC4

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-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-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 CCNA2 35/4885CDK2 2/4885GAA 2782/4885
US-20080039477-A1 Pyrazolopyrimidines as Cell Cycle Kinase Inhibitors CDK1, CDK2, CDKN1A CCNA2 48/4885CDK2 2/4885GAA 3772/4885

“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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