SCHEMBL1284580

SCHEMBL1284580

O=C(NCCCn1ccc2cnc(Nc3cccc(NC(=O)N4CCCC4)c3)nc21)c1cccs1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 13/20 0.68
PDPK1 O15530 4/20 0.68
ULK1 O75385 3/20 0.68
PDK1 Q15118 3/20 0.68
ULK2 Q8IYT8 3/20 0.68
NUAK1 O60285 2/20 0.68
IKBKE Q14164 1/20 0.68
CGAS Q8N884 1/20 0.68
STK17A Q9UEE5 3/20 0.49
MARK3 P27448 3/20 0.49
MARK4 Q96L34 3/20 0.49
TYK2 P29597 2/20 0.47
AAK1 Q2M2I8 2/20 0.47
MKNK2 Q9HBH9 2/20 0.47
STK17B O94768 1/20 0.47
SIK2 Q9H0K1 1/20 0.47
CDK2 P24941 1/20 0.46
AURKA O14965 1/20 0.43
ABL1 P00519 1/20 0.42
PDGFRB P09619 1/20 0.42

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
SCHEMBL15163134 0.89 TBK1 (0.54) TBK1PDPK1ULK1PDK1ULK2
SCHEMBL3712652 0.85 TBK1 (0.53) TBK1PDPK1ULK1PDK1ULK2
SCHEMBL1284534 0.85 TBK1 (0.63) TBK1PDPK1ULK1PDK1ULK2
SCHEMBL3712646 0.83 TBK1 (0.50) TBK1PDPK1ULK1PDK1ULK2
SCHEMBL1284739 0.83 TBK1 (0.51) TBK1PDPK1ULK1PDK1ULK2
SCHEMBL1284793 0.83 TBK1 (0.49) TBK1PDPK1ULK1PDK1ULK2
SCHEMBL1284349 0.82 TBK1 (0.48) TBK1PDPK1ULK1PDK1ULK2
SCHEMBL13897669 0.81 TBK1 (0.83) TBK1PDPK1ULK1PDK1ULK2
SCHEMBL13898068 0.81 TBK1 (0.97) TBK1PDPK1ULK1PDK1ULK2
Bx-795 SCHEMBL3865995 0.81 TBK1 (1.00) TBK1PDPK1ULK1PDK1ULK2

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 5 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
EP-2403853-A1 PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS Medical Research Council Technology (GB) 2012-01-11 EP claimed
US-20120088753-A1 PYRROLOPYRIMIDINES AND USED AS KINASE INHIBITORS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2012-04-12 US disclosed
US-20120088753-A1 PYRROLOPYRIMIDINES AND USED AS KINASE INHIBITORS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2012-04-12 US disclosed
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 17/4885PDPK1 280/4885ULK1 774/4885

“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.