SCHEMBL13648688

SCHEMBL13648688

C#CCOc1nc(Nc2cccc(OC[C@H](O)CN3CCN(C)CC3)c2)ncc1Br

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.44
▸ GLA P06280 1/20 0.44
▸ TP53 P04637 2/20 0.41
▸ EGFR P00533 2/20 0.41
▸ ITK Q08881 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PRMT5 O14744 5/20 0.41
▸ WDR77 Q9BQA1 5/20 0.41
▸ ACE2 Q9BYF1 1/20 0.40
▸ BRD4 O60885 2/20 0.40
▸ AIMP2 Q13155 1/20 0.40
▸ BTK Q06187 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SYK P43405 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
SCHEMBL13648687 1.00 KDM4E (0.44) KDM4EGLATP53EGFRITK
SCHEMBL13648686 0.93 SMN1; SMN2 (0.47) KDM4EEGFRITKSMN1; SMN2PRMT5
SCHEMBL13648685 0.93 SMN1; SMN2 (0.47) KDM4EEGFRITKSMN1; SMN2PRMT5
SCHEMBL14355396 0.91 KDM4E (0.44) KDM4EGLATP53SMN1; SMN2PRMT5
SCHEMBL14355400 0.91 KDM4E (0.44) KDM4EGLATP53SMN1; SMN2PRMT5
SCHEMBL13648386 0.90 L3MBTL1 (0.52) SMN1; SMN2SYK
SCHEMBL14498895 0.90 TSHR (0.44) KDM4ESMN1; SMN2PRMT5WDR77ALDH1A1
SCHEMBL14498894 0.89 KMT2A (0.42) TP53EGFRITKSMN1; SMN2LMNA
SCHEMBL13648375 0.88 MEN1 (0.43) EGFRBTK
SCHEMBL13648363 0.88 KDM4E (0.55) KDM4ETP53SMN1; SMN2ALDH1A1LMNA

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 2351/4885TP53 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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