SCHEMBL13655190

SCHEMBL13655190

CN1CCN(C[C@H](O)COc2cccc(Nc3ncc(Br)c(O)n3)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.49
▸ GLA P06280 1/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ TP53 P04637 2/20 0.46
▸ ACE2 Q9BYF1 1/20 0.45
▸ PRMT5 O14744 4/20 0.44
▸ WDR77 Q9BQA1 4/20 0.44
▸ BRD4 O60885 2/20 0.44
▸ AIMP2 Q13155 1/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ GAA P10253 1/20 0.43

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
SCHEMBL13655173 1.00 KDM4E (0.49) KDM4EGLASMN1; SMN2TP53ACE2
SCHEMBL13655128 0.92 SMN1; SMN2 (0.54) KDM4ESMN1; SMN2TP53ACE2PRMT5
SCHEMBL13655353 0.92 SMN1; SMN2 (0.54) KDM4ESMN1; SMN2TP53ACE2PRMT5
SCHEMBL6643046 0.89 CDK4 (0.57) KDM4EGLABRD4
SCHEMBL14355396 0.86 KDM4E (0.44) KDM4EGLASMN1; SMN2TP53ACE2
SCHEMBL14355400 0.86 KDM4E (0.44) KDM4EGLASMN1; SMN2TP53ACE2
SCHEMBL13648687 0.86 KDM4E (0.44) KDM4EGLASMN1; SMN2TP53ACE2
SCHEMBL13648688 0.86 KDM4E (0.44) KDM4EGLASMN1; SMN2TP53ACE2
SCHEMBL13655055 0.85 DRD4 (0.60) GAA
SCHEMBL13655057 0.85 DRD4 (0.60) GAA

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 3 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-20080039447-A1 CDK-Inhibitory pyrimidines, their production and use as pharmaceutical agents BRUMBY THOMAS 2008-02-14 — — 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 KDM4E 767/4885GLA 2351/4885SMN1; SMN2 2651/4885

“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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