SCHEMBL4062267

SCHEMBL4062267

CC[C@H](CO)Nc1nc(Nc2cccc(S(=O)(=O)NCCN3CCCCC3)c2)ncc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 11/20 0.48
▸ SRC P12931 3/20 0.48
▸ KDR P35968 4/20 0.46
▸ CDK4 P11802 3/20 0.46
▸ CDK7 P50613 3/20 0.46
▸ CDK9 P50750 3/20 0.46
▸ JAK2 O60674 2/20 0.46
▸ SYK P43405 2/20 0.46
▸ JAK3 P52333 2/20 0.46
▸ NUAK1 O60285 2/20 0.46
▸ STK16 O75716 2/20 0.46
▸ NTRK1 P04629 2/20 0.46
▸ CSNK2A2 P19784 2/20 0.46
▸ TYK2 P29597 2/20 0.46
▸ BMPR2 Q13873 2/20 0.46
▸ AAK1 Q2M2I8 2/20 0.46
▸ NUAK2 Q9H093 2/20 0.46
▸ MKNK2 Q9HBH9 2/20 0.46
▸ BMP2K Q9NSY1 2/20 0.46
▸ TBK1 Q9UHD2 2/20 0.46

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
SCHEMBL4065749 0.99 BRD4 (0.48) BRD4SRCKDRCDK4CDK7
SCHEMBL4061800 0.92 BRD4 (0.54) BRD4SRCKDRCDK4CDK7
SCHEMBL4063259 0.91 KDR (0.54) BRD4SRCKDRCDK4CDK7
SCHEMBL4066354 0.91 CDK1 (0.51) SRCKDRCDK4CDK7CDK9
SCHEMBL4063419 0.90 KDR (0.55) BRD4SRCKDRCDK4CDK7
SCHEMBL4064803 0.90 CDK1 (0.52) SRCKDRCDK4CDK7CDK9
SCHEMBL4066724 0.87 BRD4 (0.44) BRD4SRCKDRCDK4CDK7
SCHEMBL4064797 0.86 BRD4 (0.44) BRD4SRCKDRCDK4CDK7
SCHEMBL4061017 0.86 BRD4 (0.45) BRD4KDRCDK4CDK7CDK9
SCHEMBL4061570 0.86 POLB (0.45) BRD4KDRCDK4CDK7CDK9

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
EP-1392662-B1 CDK INHIBITING PYRIMIDINES, PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BAYER SCHERING PHARMA AG (DE) 2009-01-07 — — EP claimed
US-7598260-B2 CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-06 — — US disclosed
US-7598260-B2 CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-06 — — US disclosed
EP-1392662-B1 CDK INHIBITING PYRIMIDINES, PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BAYER SCHERING PHARMA AG (DE) 2009-01-07 — — EP disclosed
US-20080039447-A1 CDK-Inhibitory pyrimidines, their production and use as pharmaceutical agents BRUMBY THOMAS 2008-02-14 — — US disclosed
US-20080039447-A1 CDK-Inhibitory pyrimidines, their production and use as pharmaceutical agents BRUMBY THOMAS 2008-02-14 — — US disclosed
US-7291624-B2 CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AG (DE) 2007-11-06 — — US disclosed
US-7291624-B2 CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AG (DE) 2007-11-06 — — US disclosed
US-7235561-B2 Compound and a composition including such a compound SCHERING AG (DE) 2007-06-26 — — US disclosed
US-7235561-B2 Compound and a composition including such a compound SCHERING AG (DE) 2007-06-26 — — 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 (1 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-20080039447-A1 CDK-Inhibitory pyrimidines, their production and use as pharmaceutical agents CDK2, CDK1, CDK6 BRD4 632/4885SRC 1690/4885KDR 1504/4885

“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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