SCHEMBL13648374

SCHEMBL13648374

C#CCOc1nc(Nc2cccc(OCC(O)CN3CCN(c4cnccn4)CC3)c2)ncc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ PRMT5 O14744 3/20 0.43
▸ WDR77 Q9BQA1 3/20 0.43
▸ MAPT P10636 4/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MEN1 O00255 5/20 0.38
▸ KMT2A Q03164 5/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ ACE2 Q9BYF1 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ ITK Q08881 1/20 0.37

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
SCHEMBL13648363 0.93 KDM4E (0.55) KDM4EHSD17B10NPSR1USP2MAPK1
SCHEMBL13648685 0.88 SMN1; SMN2 (0.47) KDM4ENPSR1MAPK1PRMT5WDR77
SCHEMBL13648686 0.88 SMN1; SMN2 (0.47) KDM4ENPSR1MAPK1PRMT5WDR77
SCHEMBL13648687 0.88 KDM4E (0.44) KDM4EPRMT5WDR77ALDH1A1LMNA
SCHEMBL13648688 0.88 KDM4E (0.44) KDM4EPRMT5WDR77ALDH1A1LMNA
SCHEMBL13648386 0.86 L3MBTL1 (0.52) USP2MAPK1TSHRKMT2ASMN1; SMN2
SCHEMBL14498895 0.86 TSHR (0.44) KDM4EHSD17B10PRMT5WDR77MAPT
SCHEMBL13648377 0.85 HSP90AB1 (0.47) KDM4EHSD17B10NPSR1USP2MAPK1
SCHEMBL13648375 0.84 MEN1 (0.43) USP2MAPTMEN1KMT2AEGFR
SCHEMBL13648382 0.84 MAPT (0.45) KDM4EUSP2MAPK1HTTMAPT

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 6 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

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 767/4885HSD17B10 3726/4885NPSR1 3840/4885

“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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