SCHEMBL13648382

SCHEMBL13648382

C#CCOc1nc(Nc2cccc(OCC(O)CN3CCN(c4ccc(OC)cc4OC)CC3)c2)ncc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.45
▸ KDM4E B2RXH2 3/20 0.44
▸ LMNA P02545 6/20 0.44
▸ CACNA1G O43497 2/20 0.44
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ KCNH2 Q12809 2/20 0.42
▸ MAPK1 P28482 3/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ HIF1A Q16665 2/20 0.42
▸ NR1I2 O75469 1/20 0.42
▸ NR3C1 P04150 1/20 0.42
▸ ADRB1 P08588 1/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ ADRA2A P08913 1/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ ADRA2B P18089 1/20 0.42
▸ ADRA2C P18825 1/20 0.42

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
SCHEMBL13648353 0.93 CACNA1G (0.43) MAPTKDM4ELMNACACNA1GMEN1
SCHEMBL13648688 0.86 KDM4E (0.44) KDM4ELMNAALDH1A1TP53SMN1; SMN2
SCHEMBL13648687 0.86 KDM4E (0.44) KDM4ELMNAALDH1A1TP53SMN1; SMN2
SCHEMBL13648377 0.85 HSP90AB1 (0.47) MAPTKDM4EMAPK1HTR1ADRD2
SCHEMBL13648685 0.85 SMN1; SMN2 (0.47) KDM4EMAPK1HIF1ACYP2D6TSHR
SCHEMBL13648686 0.85 SMN1; SMN2 (0.47) KDM4EMAPK1HIF1ACYP2D6TSHR
SCHEMBL13648363 0.84 KDM4E (0.55) MAPTKDM4ELMNAMEN1KMT2A
SCHEMBL13648374 0.84 KDM4E (0.45) MAPTKDM4ELMNAMEN1KMT2A
SCHEMBL13648386 0.83 L3MBTL1 (0.52) KMT2AMAPK1USP2CYP1A2TSHR
SCHEMBL14498895 0.83 TSHR (0.44) MAPTKDM4ECACNA1GKCNH2ALDH1A1

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 MAPT 2755/4885KDM4E 767/4885LMNA 2416/4885

“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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