SCHEMBL13648406

SCHEMBL13648406

C#CCOc1nc(Nc2ccc(OCC(O)CN3CCN(c4ccccc4F)CC3)cc2)ncc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.50
▸ MAPT P10636 4/20 0.48
▸ TP53 P04637 3/20 0.48
▸ GAA P10253 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ CDK4 P11802 2/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ HTR7 P34969 1/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ HRH1 P35367 1/20 0.42
▸ SLC29A2 Q14542 1/20 0.41
▸ SLC29A1 Q99808 1/20 0.41
▸ CACNA1G O43497 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41

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
SCHEMBL13648350 0.90 HSP90AB1 (0.53) MEN1KMT2ACDK4CDK2HTR7
SCHEMBL4017437 0.89 MAPT (0.51) LMNAMAPTALDH1A1MAPK1SMN1; SMN2
SCHEMBL13648411 0.85 CDK4 (0.45) MAPTGAAALDH1A1SMN1; SMN2KMT2A
SCHEMBL13648353 0.84 CACNA1G (0.43) LMNAMAPTTP53ALDH1A1MAPK1
SCHEMBL13648362 0.84 TSHR (0.52) LMNAGAAALDH1A1MAPK1SMN1; SMN2
SCHEMBL13648413 0.84 TSHR (0.50) ALDH1A1SMN1; SMN2CDK4CDK2CACNA1G
SCHEMBL13648347 0.84 MEN1 (0.43) LMNAMAPTMEN1KMT2ACDK4
SCHEMBL13648403 0.83 MAPT (0.52) LMNAMAPTGAAMAPK1SMN1; SMN2
SCHEMBL13648377 0.82 HSP90AB1 (0.47) MAPTMAPK1HTTHTR7DRD2
SCHEMBL13648358 0.81 CDK2 (0.41) MAPTALDH1A1SMN1; SMN2CDK4CDK2

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 LMNA 2416/4885MAPT 2755/4885TP53 706/4885

“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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