SCHEMBL13648353

SCHEMBL13648353

C#CCOc1nc(Nc2ccc(OCC(O)CN3CCN(c4ccc(OC)cc4OC)CC3)cc2)ncc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1G O43497 3/20 0.43
▸ KCNH2 Q12809 3/20 0.43
▸ HSP90AB1 P08238 1/20 0.42
▸ MAPT P10636 7/20 0.42
▸ LMNA P02545 4/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MAPK1 P28482 3/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ PDGFRB P09619 1/20 0.39
▸ PDGFRA P16234 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ DRD2 P14416 2/20 0.39
▸ DRD3 P35462 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ NR1I2 O75469 1/20 0.39
▸ NR3C1 P04150 1/20 0.39
▸ ADRB1 P08588 1/20 0.39

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
SCHEMBL13648382 0.93 MAPT (0.45) CACNA1GKCNH2HSP90AB1MAPTLMNA
SCHEMBL13648406 0.84 LMNA (0.50) CACNA1GKCNH2HSP90AB1MAPTLMNA
SCHEMBL4017437 0.84 MAPT (0.51) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL13648350 0.84 HSP90AB1 (0.53) HSP90AB1MEN1KMT2AHTR1ACDK4
SCHEMBL13648362 0.82 TSHR (0.52) LMNASMN1; SMN2KMT2AMAPK1L3MBTL1
SCHEMBL13648358 0.81 CDK2 (0.41) MAPTSMN1; SMN2L3MBTL1KDM4EALDH1A1
SCHEMBL13648403 0.80 MAPT (0.52) CACNA1GKCNH2MAPTLMNASMN1; SMN2
SCHEMBL13648411 0.80 CDK4 (0.45) MAPTSMN1; SMN2KMT2AL3MBTL1ALDH1A1
SCHEMBL13648347 0.79 MEN1 (0.43) CACNA1GKCNH2MAPTLMNAMEN1
SCHEMBL13648413 0.79 TSHR (0.50) CACNA1GKCNH2SMN1; SMN2L3MBTL1KDM4E

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 CACNA1G 4685/4885KCNH2 4193/4885HSP90AB1 3010/4885

“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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