SCHEMBL13648377

SCHEMBL13648377

C#CCOc1nc(Nc2cccc(OCC(O)CN3CCN(c4ccccc4C#N)CC3)c2)ncc1Br

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HSP90AB1 P08238 1/20 0.47
▸ HTR1A P08908 2/20 0.42
▸ HTR7 P34969 2/20 0.42
▸ ABCB1 P08183 9/20 0.42
▸ DRD2 P14416 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ CTSL P07711 4/20 0.39
▸ CTSS P25774 4/20 0.39
▸ USP2 O75604 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ PRMT5 O14744 1/20 0.39
▸ WDR77 Q9BQA1 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
SCHEMBL13648350 0.92 HSP90AB1 (0.53) HSP90AB1HTR1AHTR7ABCB1CTSL
SCHEMBL13648686 0.87 SMN1; SMN2 (0.47) ABCB1KDM4EMAPK1NPSR1PRMT5
SCHEMBL13648685 0.87 SMN1; SMN2 (0.47) ABCB1KDM4EMAPK1NPSR1PRMT5
SCHEMBL13648363 0.87 KDM4E (0.55) KDM4EMAPK1NPSR1MAPTUSP2
SCHEMBL13648687 0.86 KDM4E (0.44) KDM4EPRMT5WDR77
SCHEMBL13648688 0.86 KDM4E (0.44) KDM4EPRMT5WDR77
SCHEMBL14498895 0.86 TSHR (0.44) ABCB1KDM4EMAPTHSD17B10PRMT5
SCHEMBL13648374 0.85 KDM4E (0.45) KDM4EMAPK1NPSR1MAPTUSP2
SCHEMBL13648382 0.85 MAPT (0.45) HSP90AB1HTR1ADRD2KDM4EMAPK1
SCHEMBL13648386 0.85 L3MBTL1 (0.52) ABCB1MAPK1USP2

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 HSP90AB1 3010/4885HTR1A 2353/4885HTR7 3390/4885

“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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