SCHEMBL13648358

SCHEMBL13648358

C#CCOc1nc(Nc2ccc(OCC(O)CN3CCN(CCOCC)CC3)cc2)ncc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 3/20 0.41
▸ CDK4 P11802 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ JAK2 O60674 1/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ RET P07949 1/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ TYK2 P29597 1/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ TSHR P16473 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ CDK1 P06493 2/20 0.38
▸ KDR P35968 2/20 0.38

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
SCHEMBL13648411 0.86 CDK4 (0.45) CDK2CDK4SMN1; SMN2L3MBTL1TSHR
SCHEMBL13648362 0.85 TSHR (0.52) CDK2CDK4KDM4ESMN1; SMN2L3MBTL1
SCHEMBL4017437 0.84 MAPT (0.51) CDK2CDK4SMN1; SMN2L3MBTL1MAPT
SCHEMBL13648347 0.82 MEN1 (0.43) CDK2CDK4TSHRIGF1RMAPT
SCHEMBL13648413 0.82 TSHR (0.50) CDK2CDK4KDM4ESMN1; SMN2L3MBTL1
SCHEMBL13648416 0.82 CDK4 (0.40) CDK2CDK4KDM4EGLATSHR
SCHEMBL13648406 0.81 LMNA (0.50) CDK2CDK4SMN1; SMN2MAPTALDH1A1
SCHEMBL13648353 0.81 CACNA1G (0.43) CDK2CDK4KDM4ESMN1; SMN2L3MBTL1
SCHEMBL13648688 0.81 KDM4E (0.44) KDM4EGLABRD4SMN1; SMN2EGFR
SCHEMBL13648687 0.81 KDM4E (0.44) KDM4EGLABRD4SMN1; SMN2EGFR

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-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
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 CDK2 1/4885CDK4 13/4885KDM4E 767/4885

“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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