SCHEMBL6543152

SCHEMBL6543152

Oc1cccc(Nc2ncc(Br)c(NCCc3c[nH]cn3)n2)c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SYK P43405 7/20 0.61
MAPK8 P45983 1/20 0.50
TBK1 Q9UHD2 9/20 0.48
MARK3 P27448 2/20 0.48
MARK4 Q96L34 2/20 0.48
AURKA O14965 1/20 0.48
STK17A Q9UEE5 1/20 0.46
PDPK1 O15530 3/20 0.43
CDK1 P06493 2/20 0.43
CDK2 P24941 2/20 0.43
CCNB1 P14635 1/20 0.43
CCNE1 P24864 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
SCHEMBL14112812 0.93 TBK1 (0.51) SYKTBK1MARK3MARK4AURKA
SCHEMBL13897769 0.88 SYK (0.51) SYKTBK1MARK3MARK4AURKA
SCHEMBL3866461 0.88 AURKA (0.47) SYKTBK1MARK3MARK4AURKA
SCHEMBL3867648 0.88 IGF1R (0.52) SYKMAPK8TBK1MARK3MARK4
SCHEMBL13897933 0.87 TBK1 (0.49) SYKMAPK8TBK1MARK3MARK4
SCHEMBL13897771 0.86 MARK3 (0.51) SYKTBK1MARK3MARK4AURKA
SCHEMBL3958041 0.86 CDK19 (0.57) SYKTBK1MARK3MARK4AURKA
SCHEMBL13897853 0.86 TBK1 (0.55) SYKTBK1MARK3MARK4AURKA
SCHEMBL3866798 0.86 TBK1 (0.55) SYKTBK1MARK3MARK4AURKA
SCHEMBL13897910 0.86 TBK1 (0.55) SYKMAPK8TBK1MARK3MARK4

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-20040186118-A1 Chk-, Pdk- and Akt-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-09-23 US claimed
US-7504410-B2 Chk-, Pdk- and Akt-inhibitory pyrimidines, their production and use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 2009-03-17 US disclosed
US-7504410-B2 Chk-, Pdk- and Akt-inhibitory pyrimidines, their production and use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 2009-03-17 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-20040186118-A1 Chk-, Pdk- and Akt-inhibitory pyrimidines, their production and use as pharmaceutical agents DCK, PDPK1, DTYMK SYK 1402/4885MAPK8 325/4885TBK1 452/4885

“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.