SCHEMBL13648686

SCHEMBL13648686

C#CCOc1nc(Nc2cccc(OC[C@H](O)CN3CCC3)c2)ncc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ ACE2 Q9BYF1 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ABCB1 P08183 4/20 0.41
▸ EGFR P00533 2/20 0.41
▸ ITK Q08881 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ PRMT5 O14744 2/20 0.41
▸ WDR77 Q9BQA1 2/20 0.41
▸ GAA P10253 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ BTK Q06187 1/20 0.39
▸ CDK4 P11802 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ SYK P43405 1/20 0.38
▸ ATM Q13315 1/20 0.38

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
SCHEMBL13648685 1.00 SMN1; SMN2 (0.47) SMN1; SMN2ACE2NPSR1KDM4EL3MBTL1
SCHEMBL13648688 0.93 KDM4E (0.44) SMN1; SMN2ACE2KDM4EEGFRITK
SCHEMBL13648687 0.93 KDM4E (0.44) SMN1; SMN2ACE2KDM4EEGFRITK
SCHEMBL13648386 0.93 L3MBTL1 (0.52) SMN1; SMN2L3MBTL1ABCB1TSHRGAA
SCHEMBL14355393 0.91 SMN1; SMN2 (0.48) SMN1; SMN2ACE2NPSR1KDM4EL3MBTL1
SCHEMBL14355406 0.91 SMN1; SMN2 (0.48) SMN1; SMN2ACE2NPSR1KDM4EL3MBTL1
SCHEMBL14498895 0.90 TSHR (0.44) SMN1; SMN2KDM4EL3MBTL1ABCB1CYP2D6
SCHEMBL13648689 0.88 DRD4 (0.54) ABCB1TSHRGAAATM
SCHEMBL13648690 0.88 DRD4 (0.54) ABCB1TSHRGAAATM
SCHEMBL13648375 0.88 MEN1 (0.43) ABCB1EGFRCYP2D6BTK

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 SMN1; SMN2 2651/4885ACE2 1356/4885NPSR1 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.

Send feedback