SCHEMBL1284833

SCHEMBL1284833

O=C(NCCCn1ccc2cnc(Nc3cnn(CCN4CCOCC4)c3)nc21)C1CCC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 14/20 0.72
JAK2 O60674 2/20 0.51
HDAC6 Q9UBN7 2/20 0.50
JAK3 P52333 2/20 0.50
MARK3 P27448 3/20 0.48
IKBKE Q14164 3/20 0.48
CDK2 P24941 2/20 0.48
BRSK2 Q8IWQ3 2/20 0.48
AURKB Q96GD4 2/20 0.48
MKNK1 Q9BUB5 2/20 0.48
NUAK1 O60285 1/20 0.48
ULK1 O75385 1/20 0.48
PRKAA2 P54646 1/20 0.48
SIK1 P57059 1/20 0.48
PRKAA1 Q13131 1/20 0.48
MELK Q14680 1/20 0.48
PDK1 Q15118 1/20 0.48
MARK2 Q7KZI7 1/20 0.48
ULK2 Q8IYT8 1/20 0.48
MARK4 Q96L34 1/20 0.48

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
SCHEMBL15163458 0.90 TBK1 (0.57) TBK1JAK2HDAC6JAK3JAK1
SCHEMBL1285018 0.88 TBK1 (0.63) TBK1JAK2HDAC6JAK3MARK3
SCHEMBL1284415 0.86 TBK1 (0.65) TBK1JAK2HDAC6JAK3MARK3
SCHEMBL1284538 0.85 TBK1 (0.71) TBK1MARK3IKBKECDK2BRSK2
SCHEMBL1284578 0.84 TBK1 (1.00) TBK1JAK3MARK3IKBKECDK2
SCHEMBL1284191 0.83 TBK1 (0.68) TBK1MARK3IKBKECDK2BRSK2
SCHEMBL1284522 0.83 TBK1 (0.68) TBK1JAK2MARK3IKBKECDK2
SCHEMBL3711049 0.82 JAK3 (0.49) TBK1JAK2HDAC6JAK3AURKB
SCHEMBL1284573 0.82 TBK1 (0.78) TBK1JAK2HDAC6JAK3MARK3
SCHEMBL1285026 0.82 TBK1 (0.66) TBK1MARK3IKBKECDK2BRSK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088753-A1 PYRROLOPYRIMIDINES AND USED AS KINASE INHIBITORS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2012-04-12 US claimed
US-20120088753-A1 PYRROLOPYRIMIDINES AND USED AS KINASE INHIBITORS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2012-04-12 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-20120088753-A1 PYRROLOPYRIMIDINES AND USED AS KINASE INHIBITORS MARK3, MAPK8, CDK8 TBK1 17/4885JAK2 159/4885HDAC6 2235/4885

“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.