SCHEMBL1284697

SCHEMBL1284697

O=C(NCCCn1ccc2cnc(Nc3ccc4nccnc4c3)nc21)C1CCC1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 17/20 0.65
ULK1 O75385 1/20 0.45
ULK2 Q8IYT8 1/20 0.45
PDPK1 O15530 3/20 0.45
MARK3 P27448 2/20 0.44
CDK2 P24941 1/20 0.44
IKBKE Q14164 1/20 0.44
BRSK2 Q8IWQ3 1/20 0.44
AURKB Q96GD4 1/20 0.44
MKNK1 Q9BUB5 1/20 0.44
STK17A Q9UEE5 2/20 0.43
MARK4 Q96L34 1/20 0.43
STK17B O94768 1/20 0.43
TYK2 P29597 1/20 0.43
AAK1 Q2M2I8 1/20 0.43
SIK2 Q9H0K1 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
SYK P43405 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
SCHEMBL1284595 0.91 TBK1 (0.65) TBK1ULK1ULK2PDPK1MARK3
SCHEMBL15163413 0.88 TBK1 (0.51) TBK1PDPK1MARK3CDK2AURKB
SCHEMBL1284924 0.85 TBK1 (0.68) TBK1PDPK1MARK3CDK2IKBKE
SCHEMBL1284951 0.84 TBK1 (0.65) TBK1ULK1ULK2PDPK1MARK3
SCHEMBL1285556 0.84 TBK1 (0.72) TBK1ULK1ULK2PDPK1MARK3
SCHEMBL1284474 0.84 TBK1 (0.65) TBK1ULK1ULK2PDPK1MARK3
SCHEMBL1284759 0.84 TBK1 (0.67) TBK1ULK1ULK2PDPK1MARK3
SCHEMBL1284594 0.83 TBK1 (0.60) TBK1MARK3CDK2IKBKEBRSK2
SCHEMBL1284415 0.83 TBK1 (0.65) TBK1MARK3CDK2IKBKEBRSK2
SCHEMBL1284746 0.83 TBK1 (0.72) TBK1ULK1ULK2PDPK1MARK3

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
EP-2403853-A1 PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS Medical Research Council Technology (GB) 2012-01-11 EP 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 17/4885ULK1 774/4885ULK2 820/4885

“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.